Pharmacological Research - Natural Products最新文献

{"title":"Dose dependent behavioral effects of agmatine in rats","authors":"Hira Rafi ,&nbsp;Hamna Rafiq ,&nbsp;Muhammad Farhan","doi":"10.1016/j.prenap.2026.100528","DOIUrl":"10.1016/j.prenap.2026.100528","url":null,"abstract":"<div><h3>Background</h3><div>Agmatine, a decarboxylated metabolite of <span>L</span>-arginine, exhibits neuroprotective, antidepressant, and anxiolytic properties through its modulation of NMDA receptors, monoamine pathways, and antioxidant defenses. Although its therapeutic potential is well recognized, its dose-dependent behavioral and biochemical effects remain insufficiently characterized.</div></div><div><h3>Objective</h3><div>This study investigated the chronic, dose-dependent effects of agmatine on locomotor activity, anxiety-like and depressive-like behaviors, cognitive performance, and oxidative stress markers in rats.</div></div><div><h3>Methods</h3><div>albino Wistar rats (n = 24) received oral agmatine at 50, 100, or 200 mg/kg for 28 days, while controls received water. Behavioral assessments included the open field test, forced swim test, elevated plus maze, light/dark transition test, and Morri’s water maze. Oxidative stress markers (MDA, SOD, CAT, GSH, GPx) were quantified from brain homogenates. Statistical analysis was performed using one-way ANOVA (p &lt; 0.05).</div></div><div><h3>Results</h3><div>Agmatine produced significant dose-dependent improvements in locomotion and exploration, with the most pronounced effects at 100 and 200 mg/kg. Antidepressant-like behavior was evident through increased struggling in the forced swim test (p &lt; 0.01), while anxiolytic effects were observed across all doses in both the elevated plus maze and light/dark transition tasks (p &lt; 0.01). Cognitive function improved significantly, as shown by reduced escape latencies during training, acquisition, and retention phases of the Morris water maze (p &lt; 0.01). Biochemically, agmatine reduced lipid peroxidation and elevated enzymatic antioxidant activity in a dose-dependent manner. 100 mg/kg dose consistently produce the strongest behavioral and antioxidant responses.</div></div><div><h3>Conclusion</h3><div>Chronic agmatine administration exerts robust dose-dependent behavioral and neuroprotective effects, with 100 mg/kg identified as the optimal effective dose. These findings support agmatine as a safe candidate for therapeutic applications targeting anxiety, depression, cognitive impairment, and oxidative stress.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100528"},"PeriodicalIF":0.0,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026167","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}

{"title":"Unraveling the therapeutic potential of Firmiana colorata bark extract: GC-MS profiling, pharmacological studies, and protein-ligand interaction analysis for pain, fever, and inflammation","authors":"Saurav Singha,&nbsp;Md. Ekramul Haque Ekram ,&nbsp;Md. Liakot Ali ,&nbsp;Md. Mahmudul Hasan ,&nbsp;Md. Tanveer Ahsan","doi":"10.1016/j.prenap.2026.100523","DOIUrl":"10.1016/j.prenap.2026.100523","url":null,"abstract":"<div><h3>Background</h3><div><em>Firmiana colorata</em>, also referred to as \"Mula,\" is a traditional medicinal plant in China and the Indian subcontinent.</div></div><div><h3>Objective</h3><div>This study aimed to evaluate the antinociceptive, antipyretic, and anti-inflammatory activities of the methanol extract of <em>Firmiana colorata’s</em> bark (MEFCB) in rodent models.</div></div><div><h3>Methods</h3><div>Qualitative phytochemical analysis and gas chromatography–mass spectrometry (GC–MS) were performed on MEFCB. In animal models at doses of 200 mg/kg and 400 mg/kg, the antinociceptive activity was evaluated using the formalin-induced paw licking test and the acetic acid-induced writhing response. Whereas brewer's yeast-induced pyrexia and carrageenan-induced paw edema were used to assess the antipyretic and anti-inflammatory properties.</div></div><div><h3>Results</h3><div>Qualitative phytochemical screening of the extract revealed the presence of alkaloids, tannins, glycosides, and flavonoids. The bark extract's GC-MS profile revealed 22 phytochemicals. The phytochemicals were assessed using <em>in silico</em> pass prediction, ADME/T, and molecular docking. The extracts' antinociceptive effects demonstrated a decrease in the writhing and paw-licking methods. Pyrexia was substantially decreased in antipyretic investigations. Besides, a significant reduction of paw edema (P &lt; 0.001) was observed in the anti-inflammatory test. The top compound 1,2-benzenediol, o (3-methylbut-2-enoyl)-o′-(pivaloyl)-6 demonstrated strong binding affinities, with binding scores of −8 and −7.9 (kcal/mol) against the crucial drug target proteins, cyclooxygenase-1 (PDB ID: 2OYE) and cyclooxygenase-2 (PDB ID: 6COX).</div></div><div><h3>Conclusion</h3><div><em>Firmiana colorata</em> can be a valuable source of bioactive compounds for the treatment of pain, fever, and inflammation. However, more researches are required to explore its full therapeutic potential.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100523"},"PeriodicalIF":0.0,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077782","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}

{"title":"Unlocking the phytochemical contents and therapeutic potential of Litsea monopetala leaves: Hypoglycemic and antibacterial activities","authors":"Zubair Khalid Labu ,&nbsp;Samira Karim ,&nbsp;Rahima Akter ,&nbsp;Sarder Arifuzzaman ,&nbsp;Md. Hasibul Hassan ,&nbsp;Md. Nahid Hasan ,&nbsp;Atiqur Rahman ,&nbsp;Md. Tarekur Rahman ,&nbsp;Md. Ataur Rahman ,&nbsp;Asma Akhtar","doi":"10.1016/j.prenap.2026.100527","DOIUrl":"10.1016/j.prenap.2026.100527","url":null,"abstract":"<div><div><em>Litsea monopetala</em> (LM), and bark are applied externally to treat swelling, bruises, skin infections, and inflammatory conditions. Occasionally, leave decoctions are used as topical washes or mild teas for digestive ailments and fever; however, internal use remains limited and guided by local knowledge. This study aimed to scientifically validate these traditional uses by assessing the hypoglycemic and antibacterial properties of LM leaves. Methanolic extracts were prepared via cold extraction and analyzed through standard phytochemical techniques and High-Performance Liquid Chromatography, revealing a high concentration of phenolic and flavonoid compounds. Oral Glucose Tolerance Tests in mice showed that both 250 mg/kg and 500 mg/kg doses significantly reduced blood glucose levels, with the higher dose yielding effects comparable to glibenclamide. In alloxan-induced diabetic mice, blood glucose levels dropped from 240.90 ± 6.16–145.17 ± 4.19 mg/dL by day 7 (p &lt; 0.01). In normal mice, the 500 mg/kg dose also caused a significant reduction (p &lt; 0.01). Antibacterial activity, evaluated using the disc diffusion method, revealed inhibition zones of 10–21 mm at a 400-μg dose, with carbon tetrachloride soluble fraction, chloroform soluble fraction, and ethyl acetate soluble fraction fractions demonstrating significantly stronger effects (p &lt; 0.05). These findings support the traditional use of LM and suggest potential for its development into hypoglycemic and antimicrobial agents. The results support the traditional use of LM leaves, highlighting strong hypoglycemic and antibacterial potential. These effects are likely linked to rich phenolic and flavonoid content, indicating promise for future therapeutic applications.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100527"},"PeriodicalIF":0.0,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026101","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}

{"title":"Gastroprotection and gastric healing activity potential of a fixed oil extract from Syagrus coronata (Mart.) Becc almonds","authors":"Kátia Alves Ribeiro ,&nbsp;Ângela Magalhães Vieira ,&nbsp;Iverson Conrado Bezerra ,&nbsp;Artur José da Silva ,&nbsp;Jucielma Silva de Lima ,&nbsp;Paulo Henrique Eloi Fernandes ,&nbsp;Jacqueline Wellen do Nascimento ,&nbsp;Priscila Gubert ,&nbsp;Paulo Antônio Galindo Soares ,&nbsp;Márcia Vanusa da Silva ,&nbsp;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}

{"title":"Bioactive compounds from Vernonia ambigua exhibit promising antimicrobial activity: A in vitro and in silico study","authors":"Amina Jega Yusuf ,&nbsp;Zhong-Yu Zhou ,&nbsp;Jamila Aminu ,&nbsp;Fatima A. Galadanchi ,&nbsp;Sonia Kamran ,&nbsp;Hadiza Muhammad Danjumma ,&nbsp;Abubakar S. Barau ,&nbsp;Naushad Hussain ,&nbsp;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}

{"title":"Elucidating the potential of phytoconstituents from Plumeria alba leaves as SGLT-2 receptor antagonists: A computational approach","authors":"Abin V. Geevarghese ,&nbsp;Hariprasad Ranganathan ,&nbsp;S.E. Maida Engels ,&nbsp;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}

{"title":"Ethnomedicinal uses, phytochemical composition, and pharmacological potential of Hedychium J. Koenig in Northeast India: A comprehensive review","authors":"Pallavi Sharma ,&nbsp;Limasenla ,&nbsp;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}

{"title":"A review on the ethnopharmacology, anticancer mechanism, toxicity and clinical application of andrographolide isolated from Andrographis paniculata (Burm.f.) Nees","authors":"Xiaohan Wu ,&nbsp;Lee Suan Chua ,&nbsp;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}

{"title":"Computational approach by molecular docking and molecular dynamics of compounds from two Congolese medicinal plants as potent antisickling agents","authors":"Benjamin Z. Gbolo ,&nbsp;Wafa Ali Eltayb ,&nbsp;K.N. Ngbolua ,&nbsp;Samah Shabana ,&nbsp;Irène Semay ,&nbsp;Hamed I. Hamouda ,&nbsp;P. Gerbaux ,&nbsp;Mohamed Mohsen ,&nbsp;Emmanuel M. Kitete ,&nbsp;Pius T. Mpiana ,&nbsp;Xiling Wang ,&nbsp;Pierre Duez ,&nbsp;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}

{"title":"Phytochemical analysis, antithrombotic, antiplatelet, and anticoagulant properties of Argania spinosa leaves from the eastern Morocco: Experimental and computational approaches","authors":"Fatima Zahra Lafdil ,&nbsp;Marouane Aherkou ,&nbsp;Abdelkhaleq Legssyer ,&nbsp;Abderrahim ziyyat ,&nbsp;Amal Bennani ,&nbsp;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}