Pharmacological Research - Natural Products最新文献_第4页

Gastroprotection and gastric healing activity potential of a fixed oil extract from Syagrus coronata (Mart.) Becc almonds 冠山固定油提取物的胃保护作用和胃愈合活性潜力Becc杏仁

Pharmacological Research - Natural Products

Pub Date : 2026-01-20 DOI: 10.1016/j.prenap.2026.100522

Kátia Alves Ribeiro , Ângela Magalhães Vieira , Iverson Conrado Bezerra , Artur José da Silva , Jucielma Silva de Lima , Paulo Henrique Eloi Fernandes , Jacqueline Wellen do Nascimento , Priscila Gubert , Paulo Antônio Galindo Soares , Márcia Vanusa da Silva , Maria Tereza dos Santos Correia

The Brazilian Caatinga region, characterized by its unique semiarid climate, is home to a rich diversity of plant species with therapeutic potential. Among these, Syagrus coronata (Mart.) Becc stands out, traditionally used by the local population for its anti-inflammatory, wound-healing, and antimicrobial properties. Despite its popular use, no studies have yet investigated the pharmacological effects of the Syagrus coronata fixed oil (SCFO) on gastric health. This study investigated the antiulcerogenic activity of SCFO in experimental models of acute gastric ulcer in mice induced by absolute ethanol, acidified ethanol (60 % ethanol/0.3 M HCl), and indomethacin (30 mg/kg, s.c.) and in a chronic ulcer model induced by acetic acid. Furthermore, gastric volume, acidity, and mucus content were analyzed using a pyloric ligation model in rats. To investigate the mechanisms involved in gastroprotection, the participation of sulfhydryl compounds and nitric oxide (NO) was evaluated using the ethanol-induced ulcer model. Additionally, in silico pharmacokinetics, mucosal absorption, and molecular docking of SCFO components were analyzed to understand their interactions and efficacy. The results demonstrated that all tested doses of SCFO (150, 300, and 600 mg/kg) significantly reduced gastric lesions in a dose-dependent manner, with inhibition rates of 18.64 %, 28.88 %, and 33.86 %, respectively. Ranitidine (80 mg/kg), used as a positive control, promoted an inhibition of 5.22 %, a value comparable to that observed with the highest dose of SCFO. In the ulcer model induced by acidified ethanol, SCFO provided significant protection, with a reduction in lesions by 88.79 %, 95.55 % and 98.01 %, respectively, for increasing doses. Regarding the involvement of sulfhydryl compounds, there was no change in the cytoprotection generated by SCFO. However, the antiulcerogenic activity of SCFO appears to involve nitric oxide (NO) production, as its action was inhibited in animals receiving the NO blocker L-NAME (10 mg/kg). SCFO demonstrated notable healing effects on chronic gastritis and exhibited high gastrointestinal absorption (93 %-94 %) with no toxic interactions. Molecular docking revealed that SCFO’s compounds have significant affinity for proteins involved in inflammation, particularly inhibiting myeloperoxidase activity. Overall, SCFO proves to be an effective gastroprotective agent, supporting its traditional use and potential for promoting gastrointestinal health.

巴西卡廷加地区以其独特的半干旱气候为特征，是具有治疗潜力的丰富多样的植物物种的家园。在这些植物中，西格鲁斯冠状花序（Mart.）Becc脱颖而出，传统上被当地居民使用，因为它具有抗炎、伤口愈合和抗菌特性。尽管冠Syagrus coronata固定油（SCFO）被广泛使用，但尚未有研究调查其对胃健康的药理作用。本研究探讨了SCFO在无水乙醇、酸化乙醇（60 %乙醇/0.3 M HCl）和吲哚美辛（30 mg/kg, s.c）致小鼠急性胃溃疡实验模型和醋酸致慢性溃疡模型中的抗溃疡活性。此外，采用幽门结扎模型分析大鼠胃容量、酸度和粘液含量。为了探讨胃保护的机制，我们采用乙醇诱导的溃疡模型来评估巯基化合物和一氧化氮（NO）的参与。此外，我们还分析了SCFO各组分的药代动力学、粘膜吸收和分子对接，以了解它们的相互作用和功效。结果表明，所有测试剂量的SCFO（150、300和600 mg/kg）均以剂量依赖的方式显著减少胃损伤，抑制率分别为18.64 %、28.88 %和33.86 %。作为阳性对照的雷尼替丁（80 mg/kg）促进了5.22 %的抑制，这一值与最高剂量的SCFO观察到的值相当。在酸化乙醇诱导的溃疡模型中，SCFO提供了显著的保护作用，随着剂量的增加，病变减少率分别为88.79 %、95.55 %和98.01 %。关于巯基化合物的参与，SCFO产生的细胞保护作用没有变化。然而，SCFO的抗溃疡活性似乎与一氧化氮（NO）的产生有关，因为在接受NO阻断剂L-NAME（10 mg/kg）的动物中，其作用被抑制。SCFO对慢性胃炎具有显著的愈合作用，胃肠道吸收高（93 %-94 %），无毒性相互作用。分子对接显示，SCFO化合物对炎症相关蛋白具有显著的亲和力，特别是抑制髓过氧化物酶活性。总的来说，SCFO被证明是一种有效的胃保护剂，支持其传统用途和促进胃肠健康的潜力。

{"title":"Gastroprotection and gastric healing activity potential of a fixed oil extract from Syagrus coronata (Mart.) Becc almonds","authors":"Kátia Alves Ribeiro , Ângela Magalhães Vieira , Iverson Conrado Bezerra , Artur José da Silva , Jucielma Silva de Lima , Paulo Henrique Eloi Fernandes , Jacqueline Wellen do Nascimento , Priscila Gubert , Paulo Antônio Galindo Soares , Márcia Vanusa da Silva , Maria Tereza dos Santos Correia","doi":"10.1016/j.prenap.2026.100522","DOIUrl":"10.1016/j.prenap.2026.100522","url":null,"abstract":"<div><div>The Brazilian Caatinga region, characterized by its unique semiarid climate, is home to a rich diversity of plant species with therapeutic potential. Among these, <em>Syagrus coronata</em> (Mart.) Becc stands out, traditionally used by the local population for its anti-inflammatory, wound-healing, and antimicrobial properties. Despite its popular use, no studies have yet investigated the pharmacological effects of the <em>Syagrus coronata</em> fixed oil (SCFO) on gastric health. This study investigated the antiulcerogenic activity of SCFO in experimental models of acute gastric ulcer in mice induced by absolute ethanol, acidified ethanol (60 % ethanol/0.3 M HCl), and indomethacin (30 mg/kg, s.c.) and in a chronic ulcer model induced by acetic acid. Furthermore, gastric volume, acidity, and mucus content were analyzed using a pyloric ligation model in rats. To investigate the mechanisms involved in gastroprotection, the participation of sulfhydryl compounds and nitric oxide (NO) was evaluated using the ethanol-induced ulcer model. Additionally, <em>in silico</em> pharmacokinetics, mucosal absorption, and molecular docking of SCFO components were analyzed to understand their interactions and efficacy. The results demonstrated that all tested doses of SCFO (150, 300, and 600 mg/kg) significantly reduced gastric lesions in a dose-dependent manner, with inhibition rates of 18.64 %, 28.88 %, and 33.86 %, respectively. Ranitidine (80 mg/kg), used as a positive control, promoted an inhibition of 5.22 %, a value comparable to that observed with the highest dose of SCFO. In the ulcer model induced by acidified ethanol, SCFO provided significant protection, with a reduction in lesions by 88.79 %, 95.55 % and 98.01 %, respectively, for increasing doses. Regarding the involvement of sulfhydryl compounds, there was no change in the cytoprotection generated by SCFO. However, the antiulcerogenic activity of SCFO appears to involve nitric oxide (NO) production, as its action was inhibited in animals receiving the NO blocker <span>L</span>-NAME (10 mg/kg). SCFO demonstrated notable healing effects on chronic gastritis and exhibited high gastrointestinal absorption (93 %-94 %) with no toxic interactions. Molecular docking revealed that SCFO’s compounds have significant affinity for proteins involved in inflammation, particularly inhibiting myeloperoxidase activity. Overall, SCFO proves to be an effective gastroprotective agent, supporting its traditional use and potential for promoting gastrointestinal health.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100522"},"PeriodicalIF":0.0,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bioactive compounds from Vernonia ambigua exhibit promising antimicrobial activity: A in vitro and in silico study 双歧水蛭的生物活性化合物显示出良好的抗菌活性：体外和计算机研究

Pharmacological Research - Natural Products

Pub Date : 2026-01-19 DOI: 10.1016/j.prenap.2026.100520

Amina Jega Yusuf , Zhong-Yu Zhou , Jamila Aminu , Fatima A. Galadanchi , Sonia Kamran , Hadiza Muhammad Danjumma , Abubakar S. Barau , Naushad Hussain , Mustapha Salihu

Background

Antimicrobial resistance (AMR) has intensified the search for new, effective therapeutic agents from natural sources. Vernonia ambigua, traditionally used in the management of various infections, was investigated for its antimicrobial potential using a combined in vitro, in silico, and pharmacokinetic-toxicity prediction approach.

Methods

Powdered leaves (362 g) of V. ambigua were sequentially extracted using hexane, chloroform, ethyl acetate, and methanol. The extracts were screened against bacterial and fungal pathogens using agar well diffusion and broth dilution techniques. The ethyl acetate extract (EEVa), which showed the most potent activity, was subjected to GC-MS analysis to identify its phytochemical constituents. Identified compounds were evaluated via molecular docking against two key microbial targets – D-alanyl-D-lactate ligase and sterol 14-alpha demethylase. The top five docked compounds were further analyzed for ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicity profiles using SwissADME and Protox 3.0.

Results

EEVa demonstrated the broadest and strongest antimicrobial activity, with inhibition zones of 22–25 mm, a minimum inhibitory concentration (MIC) of 2.5 mg/ml, and MBC/MFC values ranging from 5 to 10 mg/ml. GC-MS identified 23 phytoconstituents, including phenolic and aromatic compounds such as carvacrol, 4-tert-butylphenol, and fluorene derivatives. Molecular docking revealed strong binding affinities ranging from –4.9 to –8.9 kcal/mol and –5.2 to –9.6 kcal/mol against D-alanyl-D-lactate ligase and sterol 14-alpha demethylase, respectively. ADMET analysis of the top five docked compounds exhibited good gastrointestinal absorption and blood–brain barrier permeability, with acceptable synthetic accessibility and no major violations of drug-likeness rules, with 4-Phenyl-3,4-dihydroisoquinoline (M3) exhibiting the most favorable profile.

Conclusion

This study demonstrates the antimicrobial potential of V. ambigua, identifying bioactive compounds with promising activity, target specificity, and drug-likeness for antimicrobial drug discovery.

抗生素耐药（AMR）的出现促使人们从天然来源寻找新的、有效的治疗药物。利用体外、计算机和药代动力学毒性预测相结合的方法，研究了传统上用于治疗各种感染的双歧Vernonia ambigua的抗菌潜力。方法采用正己烷、氯仿、乙酸乙酯、甲醇等萃取方法，对三叶草叶粉（362 g）进行提取。利用琼脂孔扩散和肉汤稀释技术对提取液进行细菌和真菌病原体筛选。对活性最强的乙酸乙酯提取物（EEVa）进行气相色谱-质谱分析，鉴定其植物化学成分。鉴定的化合物通过分子对接对两个关键的微生物靶标- d -丙氨酰- d -乳酸连接酶和甾醇14- α去甲基化酶进行了评估。使用SwissADME和Protox 3.0进一步分析前5个对接化合物的ADME（吸收、分布、代谢和排泄）和毒性谱。结果该菌具有最广泛、最强的抑菌活性，抑菌区为22 ~ 25 mm，最小抑菌浓度（MIC）为2.5 mg/ml， MBC/MFC值为5 ~ 10 mg/ml。GC-MS鉴定出23种植物成分，包括酚类和芳香族化合物，如香芹酚、4-叔丁基酚和芴衍生物。分子对接显示，与d -丙氨酰- d -乳酸连接酶和甾醇14- α去甲基化酶的结合亲和度分别为-4.9 ~ -8.9 kcal/mol和-5.2 ~ -9.6 kcal/mol。ADMET分析显示，前5个对接化合物具有良好的胃肠道吸收和血脑屏障渗透性，具有可接受的合成可及性，没有严重违反药物相似规则，其中4-苯基-3,4-二氢异喹啉（M3）表现出最有利的特征。结论本研究证实了双歧弧菌的抗菌潜力，鉴定出具有良好活性、靶点特异性和药物相似性的生物活性化合物，为抗菌药物的开发提供依据。

{"title":"Bioactive compounds from Vernonia ambigua exhibit promising antimicrobial activity: A in vitro and in silico study","authors":"Amina Jega Yusuf , Zhong-Yu Zhou , Jamila Aminu , Fatima A. Galadanchi , Sonia Kamran , Hadiza Muhammad Danjumma , Abubakar S. Barau , Naushad Hussain , Mustapha Salihu","doi":"10.1016/j.prenap.2026.100520","DOIUrl":"10.1016/j.prenap.2026.100520","url":null,"abstract":"<div><h3>Background</h3><div>Antimicrobial resistance (AMR) has intensified the search for new, effective therapeutic agents from natural sources. <em>Vernonia ambigua</em>, traditionally used in the management of various infections, was investigated for its antimicrobial potential using a combined <em>in vitro</em>, <em>in silico</em>, and pharmacokinetic-toxicity prediction approach.</div></div><div><h3>Methods</h3><div>Powdered leaves (362 g) of <em>V. ambigua</em> were sequentially extracted using hexane, chloroform, ethyl acetate, and methanol. The extracts were screened against bacterial and fungal pathogens using agar well diffusion and broth dilution techniques. The ethyl acetate extract (EEVa), which showed the most potent activity, was subjected to GC-MS analysis to identify its phytochemical constituents. Identified compounds were evaluated via molecular docking against two key microbial targets – <span>D</span>-alanyl-<span>D</span>-lactate ligase and sterol 14-alpha demethylase. The top five docked compounds were further analyzed for ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicity profiles using SwissADME and Protox 3.0.</div></div><div><h3>Results</h3><div>EEVa demonstrated the broadest and strongest antimicrobial activity, with inhibition zones of 22–25 mm, a minimum inhibitory concentration (MIC) of 2.5 mg/ml, and MBC/MFC values ranging from 5 to 10 mg/ml. GC-MS identified 23 phytoconstituents, including phenolic and aromatic compounds such as carvacrol, 4-tert-butylphenol, and fluorene derivatives. Molecular docking revealed strong binding affinities ranging from –4.9 to –8.9 kcal/mol and –5.2 to –9.6 kcal/mol against <span>D</span>-alanyl-<span>D</span>-lactate ligase and sterol 14-alpha demethylase, respectively. ADMET analysis of the top five docked compounds exhibited good gastrointestinal absorption and blood–brain barrier permeability, with acceptable synthetic accessibility and no major violations of drug-likeness rules, with 4-Phenyl-3,4-dihydroisoquinoline (M3) exhibiting the most favorable profile.</div></div><div><h3>Conclusion</h3><div>This study demonstrates the antimicrobial potential of <em>V. ambigua</em>, identifying bioactive compounds with promising activity, target specificity, and drug-likeness for antimicrobial drug discovery.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100520"},"PeriodicalIF":0.0,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Elucidating the potential of phytoconstituents from Plumeria alba leaves as SGLT-2 receptor antagonists: A computational approach 阐明白羽毛菊叶片植物成分作为SGLT-2受体拮抗剂的潜力：一种计算方法

Pharmacological Research - Natural Products

Pub Date : 2026-01-19 DOI: 10.1016/j.prenap.2026.100521

Abin V. Geevarghese , Hariprasad Ranganathan , S.E. Maida Engels , A. Ragul

Pharmaceutical scientists increasingly recognize herbal remedies as rich reservoirs of bioactive compounds with significant therapeutic potential. Through GC–MS analysis, this study identifies the phytochemical constituents of Plumeria alba leaves and examines their prospective antidiabetic effects on the SGLT-2 receptor. Screening of the ethanolic leaf extract indicated that it contains terpenoids, glycosides, carbohydrates, steroids, and flavonoids. GC–MS analysis resulted in the identification of 42 distinct phytoconstituents.The identified compounds included 1,2-benzenedicarboxylic acid, 1-benzene methanol, 1-octadecanoic acid, 2,3-dihydroxypropyl ester, 24-pyropylidene-1, 3,7,11,15-tetramethyl-2-hexadecen-1-ol, cholest-5-en-3-ol, and stigmast-5-en-3-ol. Results from the docking analysis revealed that several phytochemicals achieved favorable G-scores, suggesting strong potential interactions with the SGLT-2 receptor. 1,2-benzenedicarboxylic acid, 1-benzene methanol, 1-octadecanoic acid, 2,3-dihydroxypropyl ester, 24-pyropylidene-1, 3,7,11,15-tetramethyl-2-hexadecen-1-ol, cholest-5-en-3-ol, and stigmast-5-en-3-ol—exhibited higher G-scores when docked with the SGLT-2 receptor (PDB ID: 7VSI). The 2,3-dihydroxypropyl ester showed the most favorable docking performance with G-score of −7.848 kcal/mol, obtained using Schrödinger Maestro Suite (version 4.2).Molecular dynamics results reveled that 2,3dihydroxypropylester was identified as the best compound which will be created as a new moiety for targeting SGLT-2 receptors.

制药科学家越来越认识到草药是具有显著治疗潜力的生物活性化合物的丰富储存库。本研究通过气相色谱-质谱分析，鉴定了白羽花叶片的植物化学成分，并探讨了其对SGLT-2受体的潜在抗糖尿病作用。乙醇叶提取物的筛选表明，它含有萜类、苷类、碳水化合物、类固醇和类黄酮。GC-MS分析鉴定出42种不同的植物成分。鉴定的化合物包括1,2-苯二羧酸、1-苯甲醇、1-十八烷酸、2,3-二羟丙酯、24-焦吡啶- 1,3,7,11,15 -四甲基-2-十六烯-1醇、胆碱-5-烯-3醇和污名素-5-烯-3-醇。对接分析的结果显示，几种植物化学物质获得了有利的g分数，表明与SGLT-2受体有很强的潜在相互作用。1,2-苯二甲酸、1-苯甲醇、1-十八烷酸、2,3-二羟丙基酯、24-焦吡啶- 1,3,7,11,15 -四甲基-2-十六烯-1-醇、胆碱-5-烯-3-醇和污头-5-烯-3-醇与SGLT-2受体（PDB ID: 7VSI）对接时表现出较高的g评分。2,3-二羟丙基酯的对接性能最好，g值为−7.848 kcal/mol，使用Schrödinger Maestro Suite （version 4.2）计算得到。分子动力学结果表明，2,3二羟丙基酯是SGLT-2受体靶向的最佳化合物。

{"title":"Elucidating the potential of phytoconstituents from Plumeria alba leaves as SGLT-2 receptor antagonists: A computational approach","authors":"Abin V. Geevarghese , Hariprasad Ranganathan , S.E. Maida Engels , A. Ragul","doi":"10.1016/j.prenap.2026.100521","DOIUrl":"10.1016/j.prenap.2026.100521","url":null,"abstract":"<div><div>Pharmaceutical scientists increasingly recognize herbal remedies as rich reservoirs of bioactive compounds with significant therapeutic potential. Through GC–MS analysis, this study identifies the phytochemical constituents of <em>Plumeria alba</em> leaves and examines their prospective antidiabetic effects on the SGLT-2 receptor. Screening of the ethanolic leaf extract indicated that it contains terpenoids, glycosides, carbohydrates, steroids, and flavonoids. GC–MS analysis resulted in the identification of 42 distinct phytoconstituents.The identified compounds included 1,2-benzenedicarboxylic acid, 1-benzene methanol, 1-octadecanoic acid, 2,3-dihydroxypropyl ester, 24-pyropylidene-1, 3,7,11,15-tetramethyl-2-hexadecen-1-ol, cholest-5-en-3-ol, and stigmast-5-en-3-ol. Results from the docking analysis revealed that several phytochemicals achieved favorable G-scores, suggesting strong potential interactions with the SGLT-2 receptor. 1,2-benzenedicarboxylic acid, 1-benzene methanol, 1-octadecanoic acid, 2,3-dihydroxypropyl ester, 24-pyropylidene-1, 3,7,11,15-tetramethyl-2-hexadecen-1-ol, cholest-5-en-3-ol, and stigmast-5-en-3-ol—exhibited higher G-scores when docked with the SGLT-2 receptor (PDB ID: 7VSI). The 2,3-dihydroxypropyl ester showed the most favorable docking performance with G-score of −7.848 kcal/mol, obtained using Schrödinger Maestro Suite (version 4.2).Molecular dynamics results reveled that 2,3dihydroxypropylester was identified as the best compound which will be created as a new moiety for targeting SGLT-2 receptors.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100521"},"PeriodicalIF":0.0,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ethnomedicinal uses, phytochemical composition, and pharmacological potential of Hedychium J. Koenig in Northeast India: A comprehensive review 印度东北地区的民族医药用途、植物化学成分和药理潜力综述

Pharmacological Research - Natural Products

Pub Date : 2026-01-18 DOI: 10.1016/j.prenap.2026.100519

Pallavi Sharma , Limasenla , Bhaben Tanti

The genus Hedychium J. Koenig (Zingiberaceae) comprises over 100 accepted species distributed across Madagascar, South China, and Tropical Asia. In Northeast India, these species hold substantial ethnomedicinal value and are traditionally used to manage inflammation, wounds, respiratory and gastrointestinal disorders, and several other ailments. This review provides a comprehensive synthesis of both phytochemical and pharmacological research on Hedychium species, with emphasis on their ethnomedicinal applications in Northeast India and a global overview of their essential oils, bioactive constituents, and experimentally validated biological properties. This review synthesizes findings from 312 published articles retrieved from PubMed, Scopus, ScienceDirect, Web of Science, and Google Scholar (search period: 1980–2024). Of these, 147 studies specifically address ethnomedicinal uses, 128 examine phytochemical or essential-oil composition, and 96 evaluate pharmacological activities. Evidence indicates that species such as H. spicatum, H. coronarium, and H. coccineum exhibit notable anti-inflammatory, antimicrobial, antioxidant, and wound-healing activities. Across the genus, more than 120 phytochemicals have been reported, including essential oils (monoterpenes, sesquiterpenes), flavonoids, diterpenes, diarylheptanoids, and labdane-type diterpenoids. Quantitative analyses reveal that the essential oil content ranges from 0.5 to 2.8 % (w/w), dominated by compounds such as 1,8-cineole (12–38 %), linalool (6–25 %), and characteristic labdane diterpenes. Among all species, H. coronarium, H. spicatum, and H. coccineum are most frequently reported, contributing to 58 % of all pharmacological studies reviewed. Experimental evidence (in vitro and in vivo) demonstrates potent antioxidant (up to 85 % DPPH inhibition), antimicrobial (MIC values ranging 64–512 μg/mL), anti-inflammatory (NO inhibition 40–78 %), and cytotoxic/cancer-related activities (IC₅₀ 5–40 μg/mL in various cancer cell lines). Despite this, only 3 species have undergone preliminary toxicity screening and none have been evaluated in clinical trials. Overall, Hedychium species represent a promising but underexplored source of therapeutic compounds. Critical research gaps remain in phytochemical standardization, mechanistic pharmacology, chronic toxicity assessments, and pharmacokinetics. Future studies integrating ethnobotany with modern biological validation will be essential for advancing Hedychium-derived drug discovery.

姜科姜花属（Hedychium J. Koenig）有100多种，分布在马达加斯加、华南和热带亚洲。在印度东北部，这些物种具有重要的民族医学价值，传统上用于治疗炎症、伤口、呼吸和胃肠道疾病以及其他几种疾病。本文综述了黑草属植物化学和药理研究的综合概况，重点介绍了其在印度东北部的民族医药应用，以及其精油、生物活性成分和实验验证的生物学特性的全球概况。本综述综合了从PubMed、Scopus、ScienceDirect、Web of Science和b谷歌Scholar（检索期：1980-2024）检索的312篇已发表文章的发现。其中，147项研究专门针对民族医药用途，128项研究检查植物化学或精油成分，96项评估药理学活性。有证据表明，spicatum、H. coronarium和H. coccineum等物种具有显著的抗炎、抗菌、抗氧化和伤口愈合活性。在整个属中，超过120种植物化学物质已被报道，包括精油（单萜、倍半萜）、类黄酮、二萜、二烷基庚烷和labdane型二萜。定量分析表明，其精油含量为0.5 ~ 2.8 % (w/w)，主要化合物为1,8-桉树脑（12-38 %）、芳樟醇（6-25 %）和特征叶丹二萜。在所有物种中，冠状芽孢杆菌、棘状芽孢杆菌和尾骨芽孢杆菌是最常被报道的，占所有药理学研究的58% %。实验证据（体外和体内）证明了有效的抗氧化（高达85 % DPPH抑制），抗菌（MIC值范围为64-512 μg/mL），抗炎（NO抑制40-78 %）和细胞毒/癌症相关活性（IC₅0 5-40 μg/mL）在各种癌细胞系中。尽管如此，只有3种进行了初步毒性筛选，没有一种在临床试验中进行评估。总的来说，Hedychium代表了一种有前途但尚未开发的治疗化合物来源。在植物化学标准化、机械药理学、慢性毒性评估和药代动力学方面仍存在重大研究空白。将民族植物学与现代生物学验证相结合的未来研究将对推进钕衍生药物的发现至关重要。

{"title":"Ethnomedicinal uses, phytochemical composition, and pharmacological potential of Hedychium J. Koenig in Northeast India: A comprehensive review","authors":"Pallavi Sharma , Limasenla , Bhaben Tanti","doi":"10.1016/j.prenap.2026.100519","DOIUrl":"10.1016/j.prenap.2026.100519","url":null,"abstract":"<div><div>The genus <em>Hedychium</em> J. Koenig (Zingiberaceae) comprises over 100 accepted species distributed across Madagascar, South China, and Tropical Asia. In Northeast India, these species hold substantial ethnomedicinal value and are traditionally used to manage inflammation, wounds, respiratory and gastrointestinal disorders, and several other ailments. This review provides a comprehensive synthesis of both phytochemical and pharmacological research on <em>Hedychium</em> species, with emphasis on their ethnomedicinal applications in Northeast India and a global overview of their essential oils, bioactive constituents, and experimentally validated biological properties. This review synthesizes findings from 312 published articles retrieved from PubMed, Scopus, ScienceDirect, Web of Science, and Google Scholar (search period: 1980–2024). Of these, 147 studies specifically address ethnomedicinal uses, 128 examine phytochemical or essential-oil composition, and 96 evaluate pharmacological activities. Evidence indicates that species such as <em>H. spicatum</em>, <em>H. coronarium</em>, and <em>H. coccineum</em> exhibit notable anti-inflammatory, antimicrobial, antioxidant, and wound-healing activities. Across the genus, more than 120 phytochemicals have been reported, including essential oils (monoterpenes, sesquiterpenes), flavonoids, diterpenes, diarylheptanoids, and labdane-type diterpenoids. Quantitative analyses reveal that the essential oil content ranges from 0.5 to 2.8 % (w/w), dominated by compounds such as 1,8-cineole (12–38 %), linalool (6–25 %), and characteristic labdane diterpenes. Among all species, <em>H. coronarium</em>, <em>H. spicatum</em>, and <em>H. coccineum</em> are most frequently reported, contributing to 58 % of all pharmacological studies reviewed. Experimental evidence (in vitro and in vivo) demonstrates potent antioxidant (up to 85 % DPPH inhibition), antimicrobial (MIC values ranging 64–512 μg/mL), anti-inflammatory (NO inhibition 40–78 %), and cytotoxic/cancer-related activities (IC₅₀ 5–40 μg/mL in various cancer cell lines). Despite this, only 3 species have undergone preliminary toxicity screening and none have been evaluated in clinical trials. Overall, <em>Hedychium</em> species represent a promising but underexplored source of therapeutic compounds. Critical research gaps remain in phytochemical standardization, mechanistic pharmacology, chronic toxicity assessments, and pharmacokinetics. Future studies integrating ethnobotany with modern biological validation will be essential for advancing <em>Hedychium</em>-derived drug discovery.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100519"},"PeriodicalIF":0.0,"publicationDate":"2026-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A review on the ethnopharmacology, anticancer mechanism, toxicity and clinical application of andrographolide isolated from Andrographis paniculata (Burm.f.) Nees 穿心莲（Andrographis paniculata, Burm.f.）穿心莲内酯的民族药理学、抗癌机制、毒性及临床应用综述需要雇

Pharmacological Research - Natural Products

Pub Date : 2026-01-18 DOI: 10.1016/j.prenap.2026.100518

Xiaohan Wu , Lee Suan Chua , Khairunadwa Jemon

Andrographis paniculata (Burm. f.) Nees (A. paniculata), commonly known as "King of Bitters," has been widely used in traditional medicine in Asia, primarily for its heat-clearing, detoxifying, anti-inflammatory hepatoprotective properties. Andrographolide (AG), a bioactive compound derived from A. paniculata has been extensively investigated for its anticancer potential. Numerous studies have demonstrated its efficacy across various cancers, highlighting the potential of AG as a promising drug for cancer therapy. This review aims to systematically summarize the ethnopharmacological uses of A. paniculata and its main compound AG, the anticancer mechanisms, preclinical toxicity analysis and clinical therapeutic potential of AG, focusing on its multi-targeted actions across various cancer types and its application in clinical trials. A comprehensive literature survey was conducted using English medium databases from 2015 to 2025. After applied the exclusion and inclusion criteria, 102 articles related to the keywords of “Andrographis paniculata”, “Andrographis paniculata traditional uses”, “andrographolide anticancer”, “andrographolide toxicity and safety”, “andrographolide adverse reactions” and “Andrographolide clinical trial” were compiled for critical review. AG exerts its anticancer effects in animal and different cancer cell lines via various mechanism inducing apoptosis, promoting autophagy, triggering ferroptosis, and arresting the cell cycle, etc. AG is relatively safe compound with less toxicity in vivo and in vitro. The clinical trials and findings for different disease have been investigated and summarized. Andrographolide has the potential to be a promising drug for cancer treatment. The combination with other drugs and natural compounds can improve therapy. The toxicity and clinical trials need further study.

穿心莲f。)苦楝（A. paniculata），俗称“苦楝之王”，在亚洲的传统医学中被广泛使用，主要是因为它具有清热、解毒、抗炎、保护肝脏的特性。穿心莲内酯（Andrographolide， AG）是一种从穿心莲中提取的生物活性化合物，因其抗癌潜力而被广泛研究。许多研究已经证明其对各种癌症的疗效，突出了AG作为一种有前景的癌症治疗药物的潜力。本文系统综述了金针叶及其主要化合物AG的民族药理学作用、抗癌机制、临床前毒性分析和临床治疗潜力，重点介绍了金针叶在不同肿瘤类型中的多靶点作用及其在临床试验中的应用。2015 - 2025年使用英文媒体数据库进行全面的文献调查。应用排除纳入标准，以“穿心莲”、“穿心莲传统用途”、“穿心莲内酯抗癌”、“穿心莲内酯毒性与安全性”、“穿心莲内酯不良反应”、“穿心莲内酯临床试验”为关键词，整理出102篇文献进行批判性评价。AG通过诱导细胞凋亡、促进细胞自噬、触发铁下垂、阻滞细胞周期等多种机制在动物及不同癌细胞系中发挥抗癌作用。AG是一种相对安全的化合物，体内外毒性较小。对不同疾病的临床试验和结果进行了调查和总结。穿心莲内酯有可能成为一种很有前途的癌症治疗药物。与其他药物和天然化合物联合使用可以改善治疗效果。毒性及临床试验有待进一步研究。

{"title":"A review on the ethnopharmacology, anticancer mechanism, toxicity and clinical application of andrographolide isolated from Andrographis paniculata (Burm.f.) Nees","authors":"Xiaohan Wu , Lee Suan Chua , Khairunadwa Jemon","doi":"10.1016/j.prenap.2026.100518","DOIUrl":"10.1016/j.prenap.2026.100518","url":null,"abstract":"<div><div><em>Andrographis paniculata</em> (Burm. f.) Nees (<em>A. paniculata</em>), commonly known as \"King of Bitters,\" has been widely used in traditional medicine in Asia, primarily for its heat-clearing, detoxifying, anti-inflammatory hepatoprotective properties. Andrographolide (AG), a bioactive compound derived from <em>A. paniculata</em> has been extensively investigated for its anticancer potential. Numerous studies have demonstrated its efficacy across various cancers, highlighting the potential of AG as a promising drug for cancer therapy. This review aims to systematically summarize the ethnopharmacological uses of <em>A. paniculata</em> and its main compound AG, the anticancer mechanisms, preclinical toxicity analysis and clinical therapeutic potential of AG, focusing on its multi-targeted actions across various cancer types and its application in clinical trials. A comprehensive literature survey was conducted using English medium databases from 2015 to 2025. After applied the exclusion and inclusion criteria, 102 articles related to the keywords of “<em>Andrographis paniculata</em>”, “<em>Andrographis paniculata</em> traditional uses”, “andrographolide anticancer”, “andrographolide toxicity and safety”, “andrographolide adverse reactions” and “Andrographolide clinical trial” were compiled for critical review. AG exerts its anticancer effects in animal and different cancer cell lines via various mechanism inducing apoptosis, promoting autophagy, triggering ferroptosis, and arresting the cell cycle, etc. AG is relatively safe compound with less toxicity <em>in vivo</em> and <em>in vitro</em>. The clinical trials and findings for different disease have been investigated and summarized. Andrographolide has the potential to be a promising drug for cancer treatment. The combination with other drugs and natural compounds can improve therapy. The toxicity and clinical trials need further study.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100518"},"PeriodicalIF":0.0,"publicationDate":"2026-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational approach by molecular docking and molecular dynamics of compounds from two Congolese medicinal plants as potent antisickling agents 通过分子对接和分子动力学计算两种刚果药用植物抗镰刀病药物的化合物

Pharmacological Research - Natural Products

Pub Date : 2026-01-16 DOI: 10.1016/j.prenap.2026.100516

Benjamin Z. Gbolo , Wafa Ali Eltayb , K.N. Ngbolua , Samah Shabana , Irène Semay , Hamed I. Hamouda , P. Gerbaux , Mohamed Mohsen , Emmanuel M. Kitete , Pius T. Mpiana , Xiling Wang , Pierre Duez , Mohnad Abdalla

Background

Sickle cell disease is a genetic disorder caused by hemoglobin S, and its treatment remains challenging. Compounds that penetrate erythrocytes to stabilize hemoglobin S are potential therapeutic agents. This study evaluated the in silico antisickling activity of 13 isolated flavonoids from Justicia secunda and Moringa oleifera using molecular docking and dynamics.

Methods

Deoxyhemoglobin (3WCU) and human bisphosphoglycerate mutase (3NFY) were used as receptor proteins. Flavonoids were identified via LC-MS/MS in positive and negative modes. Frontier molecular orbital (FMO) analysis, QSAR studies, ADMET profiling, and molecular dynamics simulations (MD) were conducted to assess reactivity, stability, and drug-likeness.

Results

Four compounds (C_3, C_9, C_11, C_12) showed the highest docking activity, with C_11 and C_12 emerging as top ligands. FMO analysis indicated HOMO energies (–5.496 to –5.917 eV) and LUMO energies (–1.139 to –1.468 eV). Water solubility, GI absorption, BBB permeability, and CYP interactions were predicted, with all compounds classified as soluble but low GI absorption and non-BBB permeant. Drug-likeness evaluation showed multiple violations, typical for large flavonoids, while bioavailability scores were 0.17. Medicinal chemistry filters revealed minimal PAINS/Brenk alerts with synthetic accessibility ranging 3.82–7.42. Docking and hydrogen-bond analyses indicated that C_11 and C_12 interacted with key residues of 3WCU and 3NFY. MD simulations and ADMET profiles confirmed the stability and drug-like potential of C_11 and C_12 as promising in silico leads.

Conclusion

In silico analyses suggest that C_11 and C_12 are promising candidates for antisickling drug development, supported by binding affinity, molecular stability, hydrogen-bond interactions, and favorable quantum chemical, physico-chemical, and pharmacokinetic properties.

镰状细胞病是一种由血红蛋白S引起的遗传性疾病，其治疗仍然具有挑战性。穿透红细胞稳定血红蛋白S的化合物是潜在的治疗剂。本研究采用分子对接和动力学方法，对从刺麻和辣木中分离得到的13种黄酮类化合物进行了体外抗镰刀病活性评价。方法以脱氧血红蛋白（3WCU）和人双磷酸甘油突变酶（3NFY）为受体蛋白。采用LC-MS/MS对黄酮类化合物进行阳性和阴性鉴定。前沿分子轨道（FMO）分析、QSAR研究、ADMET分析和分子动力学模拟（MD）来评估反应性、稳定性和药物相似性。结果C_3、C_9、C_11、C_12 4个化合物的对接活性最高，其中C_11和C_12为顶配体。FMO分析显示HOMO能量（-5.496 ~ -5.917 eV）和LUMO能量（-1.139 ~ -1.468 eV）。预测了水溶性、GI吸收、血脑屏障通透性和CYP相互作用，所有化合物都被归类为可溶性，但低GI吸收和非血脑屏障渗透。药物相似性评价存在多重违规，以类黄酮含量大为典型，生物利用度得分为0.17。药物化学过滤器显示最小的PAINS/Brenk警报，合成可达性范围为3.82-7.42。对接和氢键分析表明，C_11和C_12与3WCU和3NFY的关键残基相互作用。MD模拟和ADMET谱证实了C_11和C_12的稳定性和药物样潜力，是很有前途的硅导联物。结论C_11和C_12具有结合亲和力、分子稳定性、氢键相互作用以及良好的量子化学、物理化学和药代动力学特性，是抗镰状细胞病药物开发的理想候选物质。

{"title":"Computational approach by molecular docking and molecular dynamics of compounds from two Congolese medicinal plants as potent antisickling agents","authors":"Benjamin Z. Gbolo , Wafa Ali Eltayb , K.N. Ngbolua , Samah Shabana , Irène Semay , Hamed I. Hamouda , P. Gerbaux , Mohamed Mohsen , Emmanuel M. Kitete , Pius T. Mpiana , Xiling Wang , Pierre Duez , Mohnad Abdalla","doi":"10.1016/j.prenap.2026.100516","DOIUrl":"10.1016/j.prenap.2026.100516","url":null,"abstract":"<div><h3>Background</h3><div>Sickle cell disease is a genetic disorder caused by hemoglobin S, and its treatment remains challenging. Compounds that penetrate erythrocytes to stabilize hemoglobin S are potential therapeutic agents. This study evaluated the <em>in silico</em> antisickling activity of 13 isolated flavonoids from <em>Justicia secunda</em> and <em>Moringa oleifera</em> using molecular docking and dynamics.</div></div><div><h3>Methods</h3><div>Deoxyhemoglobin (3WCU) and human bisphosphoglycerate mutase (3NFY) were used as receptor proteins. Flavonoids were identified via LC-MS/MS in positive and negative modes. Frontier molecular orbital (FMO) analysis, QSAR studies, ADMET profiling, and molecular dynamics simulations (MD) were conducted to assess reactivity, stability, and drug-likeness.</div></div><div><h3>Results</h3><div>Four compounds (C_3, C_9, C_11, C_12) showed the highest docking activity, with C_11 and C_12 emerging as top ligands. FMO analysis indicated HOMO energies (–5.496 to –5.917 eV) and LUMO energies (–1.139 to –1.468 eV). Water solubility, GI absorption, BBB permeability, and CYP interactions were predicted, with all compounds classified as soluble but low GI absorption and non-BBB permeant. Drug-likeness evaluation showed multiple violations, typical for large flavonoids, while bioavailability scores were 0.17. Medicinal chemistry filters revealed minimal PAINS/Brenk alerts with synthetic accessibility ranging 3.82–7.42. Docking and hydrogen-bond analyses indicated that C_11 and C_12 interacted with key residues of 3WCU and 3NFY. MD simulations and ADMET profiles confirmed the stability and drug-like potential of C_11 and C_12 as promising <em>in silico</em> leads.</div></div><div><h3>Conclusion</h3><div><em>In silico</em> analyses suggest that C_11 and C_12 are promising candidates for antisickling drug development, supported by binding affinity, molecular stability, hydrogen-bond interactions, and favorable quantum chemical, physico-chemical, and pharmacokinetic properties.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100516"},"PeriodicalIF":0.0,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phytochemical analysis, antithrombotic, antiplatelet, and anticoagulant properties of Argania spinosa leaves from the eastern Morocco: Experimental and computational approaches 植物化学分析，抗血栓，抗血小板，和抗凝血特性的刺毛蕨叶来自摩洛哥东部：实验和计算方法

Pharmacological Research - Natural Products

Pub Date : 2026-01-16 DOI: 10.1016/j.prenap.2026.100517

Fatima Zahra Lafdil , Marouane Aherkou , Abdelkhaleq Legssyer , Abderrahim ziyyat , Amal Bennani , Hassane Mekhfi

Hemostasis, the natural process of stopping bleeding through thrombus formation, is crucial. However, improper clot formation, using the same mechanisms, can lead to health problems. Despite potential side effects, antithrombotic therapy remains effective against thrombotic diseases. Scientific research in this area is actively exploring new treatments derived from natural products.

Aim of the study

In order to valorize the medicinal flora of eastern Morocco, the aqueous extract of Argania spinosa leaves was evaluated for acute pulmonary thrombosis in mice, as well as for primary and secondary hemostasis ex vivo. We will also examine its toxicity and phytochemical composition using HPLC.

Materials and methods

The antithrombotic activity is assessed in vivo using the acute pulmonary thromboembolism model. Thrombosis is induced by injecting a thrombogenic solution (epinephrine + collagen) into the lateral caudal vein in mice. After treating the rats for 4 weeks, platelet aggregation ex vivo is performed on isolated washed platelets. Aggregation is triggered by adding the following agonists: ADP, thrombin, collagen, and arachidonic acid. Bleeding time ex vivo is measured following a tail tip transection. Plasma coagulation parameters ex vivo, including activated partial thromboplastin time (aPTT), prothrombin time (PT), and fibrinogen concentration, are determined by adding specific reagents. Acute toxicity is assessed by single-dose oral gavage of mice with the extract (2, 5, and 10 g/kg). The identified compounds undergo in silico study to evaluate their physicochemical properties and predict their pharmacological targets using computer software.

Results

The results obtained show that A. spinosa exerted a significant preventive antithrombotic effect (70 % protection). Furthermore, A. spinosa inhibited platelet aggregation induced by all agonists, did not alter platelet count, prolonged bleeding time and coagulation times, and reduced fibrinogen concentration. We also noted that A. spinosa showed only mild toxicity at high doses, and HPLC analysis revealed a richness of polyphenols and flavonoids in the extract. Finally, results from the in silico study indicated that these identified compounds could penetrate the intestinal barrier. Quercetin demonstrated a very significant binding affinity for thrombin.

Conclusions

The leaves of A. spinosa from eastern Morocco have shown promising antithrombotic activity mediated by their antiplatelet and anticoagulant effects. The phytochemical compounds present in this extract may partly explain these properties. These results suggest that this plant could be considered for the development of new, more effective treatments for preventing thrombotic disorders.

止血，通过血栓形成来止血的自然过程，是至关重要的。然而，不适当的凝块形成，使用相同的机制，可以导致健康问题。尽管有潜在的副作用，抗血栓治疗对血栓性疾病仍然有效。这一领域的科学研究正在积极探索从天然产物中提取的新疗法。目的为了使摩洛哥东部药用植物区系得到更广泛的应用，研究了刺毛蕨叶水提物对小鼠急性肺血栓形成的作用，以及对原发性和继发性体外止血的作用。我们还将使用高效液相色谱法研究其毒性和植物化学成分。材料与方法采用急性肺血栓栓塞模型，在体内评价其抗血栓活性。通过向小鼠侧尾静脉注射致血栓溶液（肾上腺素+胶原）诱导血栓形成。大鼠治疗4周后，对分离的洗涤血小板进行体外聚集。通过添加以下激动剂触发聚集：ADP，凝血酶，胶原蛋白和花生四烯酸。在尾尖横断后测量离体出血时间。体外血浆凝血参数，包括活化部分凝血活酶时间（aPTT）、凝血酶原时间（PT）和纤维蛋白原浓度，通过添加特定试剂来测定。通过单剂量灌胃小鼠提取物（2、5和10 g/kg）来评估急性毒性。所鉴定的化合物进行计算机研究，以评估其物理化学性质，并使用计算机软件预测其药理靶点。结果棘刺具有明显的抗血栓作用（保护率为70% %）。此外，刺麻抑制所有激动剂诱导的血小板聚集，不改变血小板计数，延长出血时间和凝血次数，降低纤维蛋白原浓度。我们还注意到，在高剂量下，棘刺草仅表现出轻微的毒性，HPLC分析显示，棘刺草提取物中含有丰富的多酚和黄酮类化合物。最后，计算机研究的结果表明，这些鉴定的化合物可以穿透肠道屏障。槲皮素对凝血酶具有非常显著的结合亲和力。结论摩洛哥东部棘叶具有抗血小板和抗凝血作用，具有良好的抗血栓活性。这种提取物中存在的植物化学化合物可能部分解释了这些特性。这些结果表明，这种植物可以考虑开发新的，更有效的治疗方法来预防血栓性疾病。

{"title":"Phytochemical analysis, antithrombotic, antiplatelet, and anticoagulant properties of Argania spinosa leaves from the eastern Morocco: Experimental and computational approaches","authors":"Fatima Zahra Lafdil , Marouane Aherkou , Abdelkhaleq Legssyer , Abderrahim ziyyat , Amal Bennani , Hassane Mekhfi","doi":"10.1016/j.prenap.2026.100517","DOIUrl":"10.1016/j.prenap.2026.100517","url":null,"abstract":"<div><div>Hemostasis, the natural process of stopping bleeding through thrombus formation, is crucial. However, improper clot formation, using the same mechanisms, can lead to health problems. Despite potential side effects, antithrombotic therapy remains effective against thrombotic diseases. Scientific research in this area is actively exploring new treatments derived from natural products.</div></div><div><h3>Aim of the study</h3><div>In order to valorize the medicinal flora of eastern Morocco, the aqueous extract of <em>Argania spinosa</em> leaves was evaluated for acute pulmonary thrombosis in mice, as well as for primary and secondary hemostasis <em>ex vivo</em>. We will also examine its toxicity and phytochemical composition using HPLC.</div></div><div><h3>Materials and methods</h3><div>The antithrombotic activity is assessed <em>in vivo</em> using the acute pulmonary thromboembolism model. Thrombosis is induced by injecting a thrombogenic solution (epinephrine + collagen) into the lateral caudal vein in mice. After treating the rats for 4 weeks, platelet aggregation <em>ex vivo</em> is performed on isolated washed platelets. Aggregation is triggered by adding the following agonists: ADP, thrombin, collagen, and arachidonic acid. Bleeding time <em>ex vivo</em> is measured following a tail tip transection. Plasma coagulation parameters <em>ex vivo</em>, including activated partial thromboplastin time (aPTT), prothrombin time (PT), and fibrinogen concentration, are determined by adding specific reagents. Acute toxicity is assessed by single-dose oral gavage of mice with the extract (2, 5, and 10 g/kg). The identified compounds undergo <em>in silico</em> study to evaluate their physicochemical properties and predict their pharmacological targets using computer software.</div></div><div><h3>Results</h3><div>The results obtained show that <em>A. spinosa</em> exerted a significant preventive antithrombotic effect (70 % protection). Furthermore, <em>A. spinosa</em> inhibited platelet aggregation induced by all agonists, did not alter platelet count, prolonged bleeding time and coagulation times, and reduced fibrinogen concentration. We also noted that <em>A. spinosa</em> showed only mild toxicity at high doses, and HPLC analysis revealed a richness of polyphenols and flavonoids in the extract. Finally, results from the <em>in silico</em> study indicated that these identified compounds could penetrate the intestinal barrier. Quercetin demonstrated a very significant binding affinity for thrombin.</div></div><div><h3>Conclusions</h3><div>The leaves of <em>A. spinosa</em> from eastern Morocco have shown promising antithrombotic activity mediated by their antiplatelet and anticoagulant effects. The phytochemical compounds present in this extract may partly explain these properties. These results suggest that this plant could be considered for the development of new, more effective treatments for preventing thrombotic disorders.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100517"},"PeriodicalIF":0.0,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bioactive compounds in Brassica juncea: A systematic review on biomedical potential and drug discovery pathways 芥菜中的生物活性化合物：生物医学潜力和药物发现途径的系统综述

Pharmacological Research - Natural Products

Pub Date : 2026-01-15 DOI: 10.1016/j.prenap.2026.100514

A. Ibeyaima , Anupriya Borah , Prasenjit Manna

Local people in India have traditionally used Brassica juncea to treat various permutations. This practice opens a pathway to drug discovery. Drug discovery is one of the major challenges faced during this era globally. In the pipeline of drug discovery, exploring bioactive compounds from the unutilized sources could be an immense contribution. This review is literature survey based compilation of B. juncea and its bioactive compounds in order to validate the bioactive compounds for biomedical applications. This review highlights the importance of bioactive compounds in B. juncea and its health benefits, as well as nutraceutical aspects of B. juncea of India. B. juncea is rich in vitamins, minerals, dietary fiber, chlorophylls, and glucosinolates. The nutraceutical properties of B. juncea have also been reported. Notably B. juncea can be used for plant biofortification. There is an urgent need to explore such unutilized resources for discovering the novel and potential bioactive compound(s) to combat the global issues of human health complications. The findings of this review serve as benchmarks for the development, investigation of active compounds, and utilization of B. juncea, a bio-resource of India, since very limited studies have been reported. The way of consuming B. juncea by different localities has been documented and reported its various health benefits. Further studies are needed for proper documentation through various literature surveys following extensive experimental work in order to validate the presence of potential bioactive compounds in B. juncea.

印度当地人传统上使用芥菜来治疗各种排列。这种做法为药物发现开辟了一条途径。药物发现是这个时代全球面临的主要挑战之一。在药物发现的管道中，从未利用的资源中探索生物活性化合物可能是一个巨大的贡献。本文在文献综述的基础上对芥菜及其活性成分进行了综述，以验证其在生物医学上的应用价值。本文综述了印度芥菜中生物活性成分的重要性及其对健康的益处，以及印度芥菜的营养保健作用。芥菜富含维生素、矿物质、膳食纤维、叶绿素和硫代葡萄糖苷。芥菜的营养保健性质也有报道。值得注意的是，芥菜可用于植物生物强化。迫切需要探索这些未利用的资源，以发现新的和潜在的生物活性化合物，以对抗人类健康并发症的全球性问题。本文的研究结果可为印度生物资源芥菜的开发、活性成分的研究和利用提供参考。不同地区食用芥菜的方式已被记录并报道了其各种健康益处。为了验证芥菜中潜在的生物活性化合物的存在，需要进一步的研究，通过各种文献调查和广泛的实验工作来进行适当的文献记录。

{"title":"Bioactive compounds in Brassica juncea: A systematic review on biomedical potential and drug discovery pathways","authors":"A. Ibeyaima , Anupriya Borah , Prasenjit Manna","doi":"10.1016/j.prenap.2026.100514","DOIUrl":"10.1016/j.prenap.2026.100514","url":null,"abstract":"<div><div>Local people in India have traditionally used <em>Brassica juncea</em> to treat various permutations. This practice opens a pathway to drug discovery. Drug discovery is one of the major challenges faced during this era globally. In the pipeline of drug discovery, exploring bioactive compounds from the unutilized sources could be an immense contribution. This review is literature survey based compilation of <em>B. juncea</em> and its bioactive compounds in order to validate the bioactive compounds for biomedical applications. This review highlights the importance of bioactive compounds in <em>B. juncea</em> and its health benefits, as well as nutraceutical aspects of <em>B. juncea</em> of India<em>. B. juncea</em> is rich in vitamins, minerals, dietary fiber, chlorophylls, and glucosinolates. The nutraceutical properties of <em>B. juncea</em> have also been reported. Notably <em>B. juncea</em> can be used for plant biofortification. There is an urgent need to explore such unutilized resources for discovering the novel and potential bioactive compound(s) to combat the global issues of human health complications. The findings of this review serve as benchmarks for the development, investigation of active compounds, and utilization of <em>B. juncea</em>, a bio-resource of India, since very limited studies have been reported. The way of consuming <em>B. juncea</em> by different localities has been documented and reported its various health benefits. Further studies are needed for proper documentation through various literature surveys following extensive experimental work in order to validate the presence of potential bioactive compounds in <em>B. juncea</em>.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100514"},"PeriodicalIF":0.0,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145977350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

NOX4-mediated oxidative stress in diabetic complications: Potential of natural products nox4介导的氧化应激在糖尿病并发症：潜在的天然产物

Pharmacological Research - Natural Products

Pub Date : 2026-01-14 DOI: 10.1016/j.prenap.2026.100515

Sachin Sharma , Ashwani Mittal , Manjusha Choudhary

Purpose

NOX4, an isoform of NADPH oxidases, is the inducer of free radicals and downstream regulates mRNA expression, protein expression of different pathological targets, and modulates the inflammatory, fibrotic, apoptotic pathways, especially during a high glycosidic milieu. This review discusses the various regulatory factors that govern NOX4 regulation in response to hyperglycemia and its pathophysiological role in diabetic microvascular complications, with a special emphasis on natural NOX4 inhibitors in the treatment of diabetic complications.

Methodology

We performed the extensive literature survey and retrieved the all-available data associated with NOX4, its regulators, pathophysiological role in diabetes and complication and Nox4 inhibitors by using the keywords “NOX4, diabetes, diabetic complication, inhibitors” from the different primary databases.

Conclusion

This study concludes that hyperglycemia induced NOX4 upregulation induced by diverse regulatory factors including PKC, VEGF, MAPK, ERK, NF-қB, and TGF-β etc., caused the glomerulopathy (podocytopathy, glomerulosclerosis, basement membrane thickening and fibrosis) and tubular aberrations in diabetic kidney, while cardiac aberrations include cardiac remolding, cardiac dysfunction, and cardiac lipid metabolism aberrations. In addition, retinal NOX4 activation results in abnormal angiogenesis, increased retinal vascular permeability and reduced cellular integrity in eyes. Moreover, few investigations reported that NOX4 upregulation also leads to neuron loss, and allodynia related to diabetic neuropathy. Furthermore, NOX4 inhibition, either direct or indirect, by medicinal plants, herbal formulations and plant’s bioactive restores redox signaling and its regulated pathways, leading to diabetic complication amelioration. This study also emphasizes that future NOX4 research should focus on the pharmacokinetic and pharmacodynamic profiles of natural NOX4 inhibitors and their targeted delivery in the biological system.

目的：enox4是NADPH氧化酶的一种异构体，是自由基的诱导剂，下游调节不同病理靶点的mRNA表达、蛋白表达，并调节炎症、纤维化、凋亡通路，特别是在高糖苷环境下。本文综述了多种调控NOX4对高血糖反应的调控因子及其在糖尿病微血管并发症中的病理生理作用，特别强调了天然NOX4抑制剂在糖尿病并发症治疗中的作用。方法以“NOX4，糖尿病，糖尿病并发症，抑制剂”为关键词，从不同的主要数据库中检索与NOX4、其调节因子、在糖尿病及其并发症中的病理生理作用和NOX4抑制剂相关的所有可用数据。结论高血糖诱导的NOX4上调由PKC、VEGF、MAPK、ERK、NF-қB、TGF-β等多种调节因子引起，可引起糖尿病肾的肾小球病变（足细胞病、肾小球硬化、基底膜增厚和纤维化）和肾小管畸变，心脏畸变包括心脏重塑、心功能障碍和心脏脂质代谢畸变。此外，视网膜NOX4激活导致眼睛血管生成异常，视网膜血管通透性增加，细胞完整性降低。此外，很少有研究报道NOX4上调也会导致神经元丢失，以及与糖尿病神经病变相关的异常性疼痛。此外，通过药用植物、草药制剂和植物生物活性直接或间接抑制NOX4，可恢复氧化还原信号及其调控通路，从而改善糖尿病并发症。本研究还强调，未来的NOX4研究应关注天然NOX4抑制剂的药代动力学和药效学特征及其在生物系统中的靶向递送。

{"title":"NOX4-mediated oxidative stress in diabetic complications: Potential of natural products","authors":"Sachin Sharma , Ashwani Mittal , Manjusha Choudhary","doi":"10.1016/j.prenap.2026.100515","DOIUrl":"10.1016/j.prenap.2026.100515","url":null,"abstract":"<div><h3>Purpose</h3><div>NOX4, an isoform of NADPH oxidases, is the inducer of free radicals and downstream regulates mRNA expression, protein expression of different pathological targets, and modulates the inflammatory, fibrotic, apoptotic pathways, especially during a high glycosidic milieu. This review discusses the various regulatory factors that govern NOX4 regulation in response to hyperglycemia and its pathophysiological role in diabetic microvascular complications, with a special emphasis on natural NOX4 inhibitors in the treatment of diabetic complications.</div></div><div><h3>Methodology</h3><div>We performed the extensive literature survey and retrieved the all-available data associated with NOX4, its regulators, pathophysiological role in diabetes and complication and Nox4 inhibitors by using the keywords “NOX4, diabetes, diabetic complication, inhibitors” from the different primary databases.</div></div><div><h3>Conclusion</h3><div>This study concludes that hyperglycemia induced NOX4 upregulation induced by diverse regulatory factors including PKC, VEGF, MAPK, ERK, NF-қB, and TGF-β etc., caused the glomerulopathy (podocytopathy, glomerulosclerosis, basement membrane thickening and fibrosis) and tubular aberrations in diabetic kidney, while cardiac aberrations include cardiac remolding, cardiac dysfunction, and cardiac lipid metabolism aberrations. In addition, retinal NOX4 activation results in abnormal angiogenesis, increased retinal vascular permeability and reduced cellular integrity in eyes. Moreover, few investigations reported that NOX4 upregulation also leads to neuron loss, and allodynia related to diabetic neuropathy. Furthermore, NOX4 inhibition, either direct or indirect, by medicinal plants, herbal formulations and plant’s bioactive restores redox signaling and its regulated pathways, leading to diabetic complication amelioration. This study also emphasizes that future NOX4 research should focus on the pharmacokinetic and pharmacodynamic profiles of natural NOX4 inhibitors and their targeted delivery in the biological system.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100515"},"PeriodicalIF":0.0,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Biotransformed citrus extract counteracts oxidative stress in THP-1 macrophages and Caenorhabditis elegans via Nrf2/SKN-1 dependent mechanisms 生物转化柑橘提取物通过Nrf2/SKN-1依赖机制抵消THP-1巨噬细胞和秀丽隐杆线虫的氧化应激

Pharmacological Research - Natural Products

Pub Date : 2026-01-13 DOI: 10.1016/j.prenap.2026.100501

Alice König , Georg Sandner , Gerald Klanert , Lisa Pühringer , Tina Karimian , Jonas Schurr , Kostas Syriopoulos , Rolf Tona , Julian Weghuber

Evidence suggests that citrus flavonoids activate nuclear factor erythroid 2-related factor 2 (Nrf2) that regulates cellular defense against oxidative damage. The effects of citrus flavonoids on the homologous transcription factor skinhead-1 (SKN-1) in the nematode Caenorhabditis elegans are insufficiently studied. Here, we investigated the molecular mechanisms behind the biological activity of a biotransformed citrus extract (FermCAE) and related flavonoids in THP-1 macrophages and in C. elegans. FermCAE upregulated the expression of the Nrf2 target genes heme oxygenase 1 (HMOX1) and NAD(P)H-quinone oxidoreductase 1 (NQO1) in THP-1 macrophages. The formation of excessive reactive oxygen species (ROS) was reduced in stressed cells and nematodes. Transcriptome analysis further indicated that FermCAE modulates stress-response pathways in C. elegans, particularly mitochondrial energy metabolism, nucleotide biosynthesis and ribosome biosynthesis, correlating with improved worm motility and reduced ROS levels. Notably, FermCAE could counteract the paraquat-induced reduction in worm motility in wild-type worms but not in SKN-1 loss-of-function mutants. An elevated GCS-1P::GFP signal in transgenic nematodes further confirmed SKN-1 involvement. These findings suggest that FermCAE protects against oxidative stress by inducing Nrf2/SKN-1 and modulating energy and metabolic pathways to enhance stress resilience.

有证据表明，柑橘类黄酮激活核因子红系2相关因子2 (Nrf2)，调节细胞防御氧化损伤。柑橘类黄酮对秀丽隐杆线虫同源转录因子skinhead-1 （SKN-1）的影响研究尚不充分。在这里，我们研究了生物转化柑橘提取物（FermCAE）和相关黄酮类化合物在THP-1巨噬细胞和秀丽隐杆线虫中生物活性的分子机制。FermCAE上调THP-1巨噬细胞中Nrf2靶基因血红素加氧酶1 （HMOX1）和NAD(P) h -醌氧化还原酶1 （NQO1）的表达。过度活性氧（ROS）的形成在应激细胞和线虫中减少。转录组分析进一步表明，FermCAE调节秀丽隐杆线虫的应激反应途径，特别是线粒体能量代谢、核苷酸生物合成和核糖体生物合成，与蠕虫运动能力改善和ROS水平降低相关。值得注意的是，FermCAE可以抵消百草枯引起的野生型蠕虫运动减少，但在SKN-1功能丧失突变体中不起作用。转基因线虫中GCS-1P::GFP信号的升高进一步证实了SKN-1的参与。这些研究结果表明，FermCAE通过诱导Nrf2/SKN-1和调节能量和代谢途径来增强应激恢复能力，从而防止氧化应激。

{"title":"Biotransformed citrus extract counteracts oxidative stress in THP-1 macrophages and Caenorhabditis elegans via Nrf2/SKN-1 dependent mechanisms","authors":"Alice König , Georg Sandner , Gerald Klanert , Lisa Pühringer , Tina Karimian , Jonas Schurr , Kostas Syriopoulos , Rolf Tona , Julian Weghuber","doi":"10.1016/j.prenap.2026.100501","DOIUrl":"10.1016/j.prenap.2026.100501","url":null,"abstract":"<div><div>Evidence suggests that citrus flavonoids activate nuclear factor erythroid 2-related factor 2 (Nrf2) that regulates cellular defense against oxidative damage. The effects of citrus flavonoids on the homologous transcription factor skinhead-1 (SKN-1) in the nematode <em>Caenorhabditis elegans</em> are insufficiently studied. Here, we investigated the molecular mechanisms behind the biological activity of a biotransformed citrus extract (FermCAE) and related flavonoids in THP-1 macrophages and in <em>C. elegans</em>. FermCAE upregulated the expression of the Nrf2 target genes heme oxygenase 1 (<em>HMOX1</em>) and NAD(P)H-quinone oxidoreductase 1 (<em>NQO1</em>) in THP-1 macrophages. The formation of excessive reactive oxygen species (ROS) was reduced in stressed cells and nematodes. Transcriptome analysis further indicated that FermCAE modulates stress-response pathways in <em>C. elegans</em>, particularly mitochondrial energy metabolism, nucleotide biosynthesis and ribosome biosynthesis, correlating with improved worm motility and reduced ROS levels. Notably, FermCAE could counteract the paraquat-induced reduction in worm motility in wild-type worms but not in SKN-1 loss-of-function mutants. An elevated GCS-1P::GFP signal in transgenic nematodes further confirmed SKN-1 involvement. These findings suggest that FermCAE protects against oxidative stress by inducing Nrf2/SKN-1 and modulating energy and metabolic pathways to enhance stress resilience.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100501"},"PeriodicalIF":0.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145977477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0