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Neuroprotective potential of ginger-derived α-santalol and β-eudesmol in Parkinson’s disease through network analysis 姜源性α-桑他洛尔和β-苦艾草酚对帕金森病的神经保护作用
Pub Date : 2026-01-25 DOI: 10.1016/j.prenap.2026.100531
Rapuru Rushendran , Pavithra Lakshmi Narayanan , M. Jeevan Kumar , J. Manoj, Manoah Mathew , K. Gayathiri , Chitra Vellapandian

Background

Parkinson’s disease (PD) is a progressive neurodegenerative disorder characterized by dopaminergic neuronal loss driven by oxidative stress, neuroinflammation, and protein misfolding. Natural products like ginger (Zingiber officinale) contain neuroprotective sesquiterpenes that may modulate these processes. This study aimed to evaluate the neuroprotective potential of ginger extract and its key bioactive compounds, α-santalol and β-eudesmol, using integrated computational approaches.

Methods

Ginger extract was profiled using GC-MS and LC-MS to identify major constituents. Network pharmacology tools (STRING, Metascape) were used to identify PD-related targets and construct protein-protein interaction networks. Pharmacokinetic and ADMET properties of α-santalol and β-eudesmol were predicted using SwissADME and pkCSM. Molecular docking was performed against PD-associated targets, including LRRK2, to explore potential binding interactions.

Results

Chemical profiling identified major bioactive compounds, including sesquiterpenes like α-santalol and β-eudesmol, with significant neuroprotective properties. Pharmacokinetic analysis revealed favorable BBB permeability, intestinal absorption, and low toxicity. Molecular docking demonstrated strong interactions with PD-related targets, particularly LRRK2, with binding energy values indicating effective target engagement. Pathway enrichment analysis highlighted the involvement of key pathways including NF-κB and Nrf2/ARE in mitigating oxidative stress and neuroinflammation. Biomolecule-target-pathway (B-T-P) networks confirmed the therapeutic relevance of the identified compounds.

Conclusion

Using a fully computational framework, this study identifies α-santalol and β-eudesmol as promising natural molecules with potential relevance to PD-associated pathways. These results are hypothesis-generating, and future biological validation through neuronal survival assays, oxidative-stress and inflammation models, and LRRK2-related functional studies is warranted.
帕金森氏病(PD)是一种进行性神经退行性疾病,其特征是氧化应激、神经炎症和蛋白质错误折叠导致多巴胺能神经元丧失。天然产品如生姜(Zingiber officinale)含有神经保护倍半萜,可以调节这些过程。本研究旨在利用综合计算方法评价生姜提取物及其主要生物活性物质α-桑他洛尔和β-苦艾草酚的神经保护作用。方法采用GC-MS和LC-MS对生姜提取物进行分析,鉴定主要成分。使用网络药理学工具(STRING, metscape)鉴定pd相关靶点并构建蛋白-蛋白相互作用网络。采用SwissADME和pkCSM预测α-桑他洛尔和β-苦参酚的药代动力学和ADMET性质。针对pd相关靶点(包括LRRK2)进行分子对接,以探索潜在的结合相互作用。结果化学分析鉴定出主要的生物活性成分,包括α-桑他罗和β-苦楝酚等倍半萜,具有显著的神经保护作用。药代动力学分析显示良好的血脑屏障通透性,肠道吸收和低毒性。分子对接显示与pd相关靶标,特别是LRRK2有很强的相互作用,结合能值表明有效的靶标结合。通路富集分析强调了NF-κB和Nrf2/ARE等关键通路在减轻氧化应激和神经炎症中的作用。生物分子-靶标-途径(B-T-P)网络证实了所鉴定化合物的治疗相关性。本研究通过一个完整的计算框架,确定α-桑他洛尔和β-桉树酚是有潜力的天然分子,可能与pd相关通路相关。这些结果是假设生成的,未来通过神经元存活分析、氧化应激和炎症模型以及lrrk2相关功能研究进行生物学验证是有必要的。
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引用次数: 0
Effect of gamma radiation on physical properties, chemical composition and antibacterial activity of the essential oil from Eucalyptus pellita F. Muell. 伽玛辐射对蓝桉精油物理性质、化学成分及抗菌活性的影响。
Pub Date : 2026-01-25 DOI: 10.1016/j.prenap.2026.100534
Yelina González Pérez , Ivan García-Fornaris , Daniel Milian Pérez , Abel Gámez Rodríguez , Raquel Milani , Antonio Celso Dantas Antonino , Yaicel Ge Proenza
The essential oils (EOs) from Eucalyptus species have high contents of oxygenated monoterpenes, demonstrated important antibacterial properties and are widely used in the pharmaceutical, cosmetic, and food industries. However, the stability and efficacy of EOs can be affected by environmental factors, such as exposure to radiation. The present study investigates the impact of gamma radiation on the chemical composition, physical properties and antibacterial activity of the essential oil (EO) from the leaves of Eucalyptus pellita F. Muell. The EO was extracted by hydro-distillation and analyzed by gas chromatography coupled mass spectrometry before and after exposure to 5–25 kGy of gamma radiation. The antibacterial activity of the EO was evaluated against two Gram-negative (G–), and two Gram-positive (G+) bacterial strains by the disk diffusion method. The gamma irradiation at the tested doses induced significant changes in the EO: reduction in monoterpenes such as eucalyptol and α-pinene, increase in sesquiterpenes, appearance of oxygenated compounds derived from radiolysis, and a notable increase in the density and refraction index. These modifications are further reflected in the antibacterial efficacy of the EO. The diameter of inhibition of the EO against the G– bacterial strains expands from average 9.9 to 13.2 ± 0.6 mm, and decreases from average 22.0 to 18.3 ± 0.8 mm against the G+ strains. These findings suggest that gamma radiation may be used to handle composition and antimicrobial properties of EOs for potential applications.
桉树精油富含氧合单萜烯,具有重要的抗菌性能,广泛应用于制药、化妆品和食品行业。然而,EOs的稳定性和有效性可能受到环境因素的影响,例如暴露于辐射。研究了伽玛辐射对桉叶精油化学成分、物理性质和抑菌活性的影响。在5-25 kGy γ射线照射前后,采用水蒸气蒸馏法提取EO,气相色谱耦合质谱法分析EO。采用纸片扩散法对2株革兰氏阴性菌(G -)和2株革兰氏阳性菌(G+)进行抑菌活性评价。在测试剂量下的伽马辐照引起了EO的显著变化:单萜烯(如桉树醇和α-蒎烯)减少,倍半萜烯增加,辐射分解产生的含氧化合物的出现,密度和折射率显著增加。这些修饰进一步体现在EO的抗菌效果上。EO对G -菌株的抑制直径从平均9.9增大到13.2 ± 0.6 mm,对G+菌株的抑制直径从平均22.0减小到18.3 ± 0.8 mm。这些发现表明,伽马辐射可用于处理EOs的组成和抗菌特性,具有潜在的应用价值。
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引用次数: 0
Biological and Computational Exploration of Ulva flexuosa: Antioxidant, Anti-inflammatory, Antidiabetic, Antipyretic, and Cytotoxic Insights for Drug Discovery 曲叶草的生物学和计算探索:抗氧化、抗炎、降糖、解热和细胞毒性药物发现的见解
Pub Date : 2026-01-25 DOI: 10.1016/j.prenap.2026.100533
Md. Jahirul Islam Mamun , Md. Hossain Rasel , Md. Tanvir Chowdhury , Md. Mahmudul Hasan , Miton Chowdhury , Thamjeed Mohaimeen , Md Anower Kader , Mohammad Wahiduzzaman , Mohammad Forkanul Hamid , S. M. Moazzem Hossen
Over the past decade, Ulva flexuosa, a green tide seaweed, has proliferated in China's Yellow Sea. This study evaluated the pharmacological potential of its acetone extract (AEUF) through in vitro, in vivo, and computational methods. AEUF exhibited moderate to significant antioxidant activity with IC₅₀ values of 194.53 µg/mL (DPPH) and 50.78 µg/mL (ABTS). It showed notable anti-inflammatory effects in both HRBC membrane stabilization and carrageenan-induced paw edema models. For antidiabetic assessment, AEUF demonstrated strong α-amylase inhibition (IC₅₀ = 65.9 µg/mL) and significant hypoglycemic activity (p < 0.001) in the oral glucose tolerance test (OGTT). Cytotoxicity evaluation via brine shrimp lethality assay revealed mild toxicity (LC₅₀ = 407.24 µg/mL), indicating a favorable safety profile. Molecular docking, PASS prediction, and ADME/T analyses supported the experimental results, highlighting the bioactive compounds’ binding affinity and drug-like properties. Overall, AEUF displays promising antioxidant, anti-inflammatory, antidiabetic, and hypoglycemic activities, with low cytotoxicity. These findings suggest that U. flexuosa is a valuable natural resource with significant pharmacological potential, particularly for managing oxidative stress, inflammation, and diabetes. Further studies are warranted to isolate active constituents and explore their mechanisms of action. This work underscores the importance of underutilized marine algae as a source of novel therapeutic agents.
在过去的十年里,绿潮藻弯尾藻在中国的黄海大量繁殖。本研究通过体外、体内和计算方法评价其丙酮提取物(AEUF)的药理潜力。AEUF具有中等到显著的抗氧化活性,IC₅₀值为194.53 µg/mL (DPPH)和50.78 µg/mL (ABTS)。在HRBC膜稳定和卡拉胶诱导的足跖水肿模型中均显示出明显的抗炎作用。在抗糖尿病评估中,AEUF在口服葡萄糖耐量试验(OGTT)中表现出强烈的α-淀粉酶抑制作用(IC₅₀= 65.9 µg/mL)和显著的降糖活性(p <; 0.001)。通过卤虾致死试验进行的细胞毒性评估显示毒性轻微(LC₅₀= 407.24 µg/mL),表明具有良好的安全性。分子对接、PASS预测和ADME/T分析支持实验结果,突出了生物活性化合物的结合亲和力和药物样特性。总之,AEUF具有良好的抗氧化、抗炎、抗糖尿病和降糖活性,并且具有较低的细胞毒性。这些研究结果表明,屈曲霉是一种有价值的天然资源,具有重要的药理潜力,特别是在控制氧化应激、炎症和糖尿病方面。进一步的研究是必要的,以分离有效成分和探索其作用机制。这项工作强调了未充分利用的海藻作为新型治疗剂来源的重要性。
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引用次数: 0
Antibacterial properties of leaf extracts of Coldenia procumbens L. and determination of phytochemical constituents using FT-IR and GC-MS 杜仲叶提取物的抑菌特性及其化学成分的FT-IR和GC-MS测定
Pub Date : 2026-01-24 DOI: 10.1016/j.prenap.2026.100530
Chandrasekaran Yuvasri , Devarajan Dhanavel , Venugopalan Venkatesalu , Mannathusamy Gopalakrishanan
Herbal plants have been investigated for their potential in therapeutic drugs, food additives, agrochemicals, industrial chemicals, and various other applications. A significant number of pharmaceutical companies are allocating substantial resources to develop cost-effective natural medications derived from plant extracts. Coldenia procumbens L. is a prostrate herb characterised by small, alternating leaves. It is found throughout India, thriving in various environments from barren lands to paddy fields, and is commonly regarded as a weed species. This study aimed to assess the qualitative phytochemical constituents, characterise the phytocompounds using FT-IR and GC-MS, and evaluate the antibacterial potential of C. procumbens. The specimen was gathered from natural habitats in Kurinjipadi village, located in the Cuddalore district of Tamil Nadu, India. The extract underwent preliminary phytochemical screening to identify various phytochemical constituents, following the methodology outlined by Harborne (1998). The functional groups were identified using FT-IR, and the compounds were profiled through GC-MS analysis. The evaluation of antibacterial activities of crude extracts was conducted utilising the agar well diffusion method across different concentration levels of 25, 50, 75 and 100 µg/ml. Total of 14 notable compounds were detected via GC-MS analysis from three separate extracts. The most significant zone of inhibition noted in the antibacterial assessment was for S. aureus, measuring 28.91 ± 0.53 mm. This was succeeded by E. faecalis at 15.45 ± 0.46 mm and E. coli at 18.44 ± 0.38 mm, utilising petroleum ether, ethyl acetate, and aqueous extracts respectively. The findings highlight the potential of these plant-derived extracts as sources of natural antibacterial agents. The findings highlight the potential of these plant-derived extracts as effective natural antibacterial agents capable of strongly inhibiting pathogenic bacteria.
草药植物在治疗药物、食品添加剂、农用化学品、工业化学品和各种其他应用方面的潜力已被研究。许多制药公司正在拨出大量资源,开发从植物提取物中提取的具有成本效益的天然药物。耧斗菜是一种匍匐草本植物,其特点是小而交替的叶子。它遍布印度,在从贫瘠的土地到稻田的各种环境中茁壮成长,通常被认为是一种杂草。本研究旨在对原豆的植物化学成分进行定性鉴定,利用FT-IR和GC-MS对植物化合物进行表征,并对其抗菌潜力进行评价。该标本采集于位于印度泰米尔纳德邦Cuddalore区的Kurinjipadi村的自然栖息地。按照Harborne(1998)概述的方法,对提取物进行了初步的植物化学筛选,以确定各种植物化学成分。用红外光谱(FT-IR)鉴定了化合物的官能团,用气相色谱-质谱(GC-MS)分析了化合物的结构。采用琼脂孔扩散法在25、50、75和100 µg/ml不同浓度水平下对粗提物的抑菌活性进行评价。通过GC-MS分析,从三个不同的提取物中共检测到14种显著的化合物。抑菌效果最显著的是金黄色葡萄球菌,为28.91 ± 0.53 mm。分别用石油醚、乙酸乙酯和水提物对15.45 ± 0.46 mm的粪肠杆菌和18.44 ± 0.38 mm的大肠杆菌进行了处理。这些发现突出了这些植物提取物作为天然抗菌剂来源的潜力。这些发现突出了这些植物提取物作为有效的天然抗菌剂的潜力,能够强烈抑制致病菌。
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引用次数: 0
Seasonal variation in phytochemical composition, quantitative analysis, and antioxidant activity of bulb extract from Urginea indica (Roxb.) Kunth 印楝球茎提取物植物化学成分、定量分析及抗氧化活性的季节变化肯
Pub Date : 2026-01-22 DOI: 10.1016/j.prenap.2026.100529
Uday Sahu , Shriram Kunjam

Background

Urginea indica (Roxb.) Kunth is an important medicinal geophyte that has been traditionally used to treat a wide range of ailments, particularly cardiac and respiratory disorders. Its therapeutic value is largely attributed to the rich diversity of bioactive secondary metabolites present in the plant.

Aim

The aim of this study is to investigate the seasonal effect in the phytochemical constituents of the bulb of Urginea indica (Roxb.) Kunth, both qualitatively and quantitatively, as well as the antioxidant activity of the methanolic plant extract.

Materials and methods

In this study, bulb samples were collected across three distinct seasons (rainy, winter, and summer) and then extracted using aqueous, acetone, and methanol solvents through the Soxhlet apparatus. The antioxidant activity was analyzed by the DPPH assay.

Results

Quantitative analysis revealed that phenolic (3.799 mg GAE/g) and flavonoid (0.922 mg QE/g) contents were highest in winter, followed by summer (1.550 mg GAE/g and 0.800 mg QE/g, respectively), and their lowest concentrations in the rainy season (0.547 mg GAE/g and 0.405 mg QE/g). On the other hand, steroid (7.6 µg/g) and alkaloid (43.94 %) content were highest in the rainy season, reflecting their role in plant defense and growth. Antioxidant activity, determined by the DPPH assay, was concentration-dependent, scavenging activity with the methanolic extract having an IC50 value of 584.172 µg/ml, although less potent than ascorbic acid (IC50 = 36.961 µg/ml). The observed activity supports the potential medicinal relevance of U. indica as a natural source of bioactive compounds.

Conclusion

This research highlights the seasonal and solvent-dependent variation in the distribution of bioactive compounds in U. indica bulbs, indicating their potent antioxidant activity and potential medicinal value.
背景:紫荆(Roxb.)Kunth是一种重要的药用地植物,传统上用于治疗各种疾病,特别是心脏和呼吸系统疾病。其治疗价值很大程度上归因于植物中存在的丰富多样的生物活性次生代谢物。目的研究不同季节对印楝球茎植物化学成分的影响。在定性和定量上,以及对植物甲醇提取物的抗氧化活性进行了研究。材料和方法在本研究中,球茎样品在三个不同的季节(雨季、冬季和夏季)采集,然后通过索氏装置用水溶液、丙酮和甲醇溶剂提取。DPPH法测定其抗氧化活性。结果结果表明,冬小麦中酚类(3.799 mg GAE/g)和黄酮类(0.922 mg QE/g)含量最高,夏季次之(分别为1.550 mg GAE/g和0.800 mg QE/g),雨季最低(0.547 mg GAE/g和0.405 mg QE/g)。另一方面,类固醇(7.6 µg/g)和生物碱(43.94 %)含量在雨季最高,反映了它们在植物防御和生长中的作用。DPPH测定的抗氧化活性与浓度有关,甲醇提取物的清除活性IC50值为584.172 µg/ml,但不如抗坏血酸(IC50 = 36.961 µg/ml)。所观察到的活性支持作为生物活性化合物的天然来源的潜在药用价值。结论本研究揭示了籼稻鳞茎中生物活性物质分布的季节和溶剂依赖性,表明其具有较强的抗氧化活性和潜在的药用价值。
{"title":"Seasonal variation in phytochemical composition, quantitative analysis, and antioxidant activity of bulb extract from Urginea indica (Roxb.) Kunth","authors":"Uday Sahu ,&nbsp;Shriram Kunjam","doi":"10.1016/j.prenap.2026.100529","DOIUrl":"10.1016/j.prenap.2026.100529","url":null,"abstract":"<div><h3>Background</h3><div><em>Urginea indica</em> (Roxb.) Kunth is an important medicinal geophyte that has been traditionally used to treat a wide range of ailments, particularly cardiac and respiratory disorders. Its therapeutic value is largely attributed to the rich diversity of bioactive secondary metabolites present in the plant.</div></div><div><h3>Aim</h3><div>The aim of this study is to investigate the seasonal effect in the phytochemical constituents of the bulb of <em>Urginea indica</em> (Roxb.) Kunth, both qualitatively and quantitatively, as well as the antioxidant activity of the methanolic plant extract.</div></div><div><h3>Materials and methods</h3><div>In this study, bulb samples were collected across three distinct seasons (rainy, winter, and summer) and then extracted using aqueous, acetone, and methanol solvents through the Soxhlet apparatus. The antioxidant activity was analyzed by the DPPH assay.</div></div><div><h3>Results</h3><div>Quantitative analysis revealed that phenolic (3.799 mg GAE/g) and flavonoid (0.922 mg QE/g) contents were highest in winter, followed by summer (1.550 mg GAE/g and 0.800 mg QE/g, respectively), and their lowest concentrations in the rainy season (0.547 mg GAE/g and 0.405 mg QE/g). On the other hand, steroid (7.6 µg/g) and alkaloid (43.94 %) content were highest in the rainy season, reflecting their role in plant defense and growth. Antioxidant activity, determined by the DPPH assay, was concentration-dependent, scavenging activity with the methanolic extract having an IC<sub>50</sub> value of 584.172 µg/ml, although less potent than ascorbic acid (IC<sub>50</sub> = 36.961 µg/ml). The observed activity supports the potential medicinal relevance of <em>U. indica</em> as a natural source of bioactive compounds.</div></div><div><h3>Conclusion</h3><div>This research highlights the seasonal and solvent-dependent variation in the distribution of bioactive compounds in <em>U. indica</em> bulbs, indicating their potent antioxidant activity and potential medicinal value.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100529"},"PeriodicalIF":0.0,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146026165","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
Therapeutic potential of gallic acid and diosgenin in metabolic dysfunction-associated steatotic liver disease (MASLD) and non-alcoholic fatty liver disease (NAFLD): A comprehensive review 没食子酸和薯蓣皂苷元在代谢功能障碍相关脂肪变性肝病(MASLD)和非酒精性脂肪性肝病(NAFLD)中的治疗潜力:一项全面的综述
Pub Date : 2026-01-21 DOI: 10.1016/j.prenap.2026.100525
Trilochan Satapathy , Mansi Verma , Poonam Sahu , Anjali Minj

Background

Liver diseases remain a major global health concern, highlighting the need for safe and effective therapeutic alternatives. Plant-derived bioactives such as gallic acid and diosgenin have gained prominence due to their strong antioxidant, anti-inflammatory, and antifibrotic properties. Gallic acid, a phenolic compound found in fruits and herbs, and diosgenin, a steroidal sapogenin from Dioscorea species, support liver health by reducing oxidative stress, regulating inflammatory markers, restoring hepatic enzymes, and enhancing detoxification pathways including UGTs, GST, and CYP450 enzymes.

Methodology

A comprehensive literature search was performed across PubMed, Scopus, Web of Science, Science Direct, and Google Scholar for studies published between January 2000 and October 2024. Keywords used included “gallic acid,” “diosgenin,” “hepatoprotective,” “NAFLD,” “ALD,” “fibrosis,” “cirrhosis,” “DILI,” “oxidative stress,” “inflammation,” “TGF-β/Smad,” “PPAR-α,” “AMPK,” and detoxification-related terms. The search identified 1246 articles, with 934 remaining after duplicate removal. After screening and full-text evaluation of 186 articles based on relevance, mechanistic insights, and quality criteria, 112 studies were included in this review.

Scope and approach

This review examines the hepatoprotective effects of gallic acid and diosgenin across liver conditions such as ALD, NAFLD, DILI, fibrosis, and cirrhosis. It highlights their antioxidant, anti-inflammatory, antifibrotic, lipid-regulating, and detoxification-enhancing activities, focusing on key pathways including PPAR-α, AMPK, and TGF-β/Smad. Challenges such as low bioavailability and limited clinical evidence are also addressed.

Key findings and conclusions

Gallic acid and diosgenin demonstrate significant hepatoprotective potential, offering effects comparable to standard therapies with superior safety profiles. However, their clinical application is limited by poor solubility, low bioavailability, and inconsistent formulations. Enhancing pharmacokinetics, developing advanced delivery systems, and conducting robust clinical trials are crucial next steps. Overall, both compounds emerge as promising natural candidates for preventive and integrative liver therapy.
肝脏疾病仍然是一个主要的全球健康问题,强调需要安全有效的治疗方案。植物源性生物活性物质,如没食子酸和薯蓣皂苷元,因其强大的抗氧化、抗炎和抗纤维化特性而备受关注。没食子酸是一种在水果和草药中发现的酚类化合物,薯蓣皂苷元是一种来自薯蓣属植物的甾体皂苷元,它们通过减少氧化应激、调节炎症标志物、恢复肝酶和增强解毒途径(包括UGTs、GST和CYP450酶)来支持肝脏健康。方法通过PubMed、Scopus、Web of Science、Science Direct和b谷歌Scholar对2000年1月至2024年10月间发表的研究进行综合文献检索。使用的关键词包括“没食子酸”、“dioosgenin”、“保肝”、“NAFLD”、“ALD”、“纤维化”、“肝硬化”、“DILI”、“氧化应激”、“炎症”、“TGF-β/Smad”、“PPAR-α”、“AMPK”和解毒相关术语。搜索确定了1246篇文章,删除重复后剩下934篇。在基于相关性、机制见解和质量标准对186篇文章进行筛选和全文评估后,本综述纳入了112项研究。本综述探讨了没食子酸和薯蓣皂苷元对ALD、NAFLD、DILI、纤维化和肝硬化等肝脏疾病的肝保护作用。它强调了它们的抗氧化、抗炎、抗纤维化、调节脂质和增强解毒活性,重点关注包括PPAR-α、AMPK和TGF-β/Smad在内的关键途径。还解决了生物利用度低和临床证据有限等挑战。主要发现和结论没食子酸和薯蓣皂苷元显示出显著的肝保护潜力,提供与标准疗法相当的效果,具有优越的安全性。然而,它们的临床应用受到溶解度差、生物利用度低和配方不一致的限制。加强药代动力学、开发先进的给药系统和开展强有力的临床试验是接下来的关键步骤。总的来说,这两种化合物都是预防和综合肝脏治疗的有希望的天然候选者。
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引用次数: 0
Comprehensive physicochemical, spectroscopic, and biological evaluation of Rosmarinus officinalis essential oil: From GC-MS profiling to ADMET prediction 迷迭香精油的综合理化、光谱学和生物学评价:从GC-MS分析到ADMET预测
Pub Date : 2026-01-21 DOI: 10.1016/j.prenap.2026.100526
Mustapha Mouzaki , Khadija El Ouardy , Soufiane El Megdar , Zakaria benchama , Fatima Hamadi , Abdelaziz Elamrani , Zohra Lemkhente , Youssef Mir
The essential oil (EO) of Rosmarinus officinalis collected from Ouarzazate, Morocco, showed significant antibacterial, antioxidant and antibiofilm activities. A comprehensive physicochemical characterization identified the major bioactive compounds responsible for these effects. The EO was obtained through hydrodistillation, and the chemical composition of the extracted EO was analysed using gas chromatography-mass spectrometry (GC-MS). Physicochemical characterization included Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) spectroscopy, UV-Vis spectrophotometry, optical rotation (°), refractive index, solubility, and density measurements. The major EO constituents were identified as α-pinene, eucalyptol, and camphor, with physicochemical properties such as an optical rotation of + 6.5°, a refractive index of 1.47, and a density of 0.792. Antioxidant activity, assessed using the DPPH radical scavenging assay, showed 52 % inhibition, while antibacterial tests demonstrated strong inhibitory activity against Gram-positive and Gram-negative bacteria growth, with inhibition zones ranging from 7.33 mm (P. aeruginosa) to 20.83 mm (K. pneumoniae), while MICs varied from 0.20 µL/ml (B. clausii) to 6.45 µL/ml (Enterococcus spp. and MDR E. coli). Additionally significant antibiofilm activity was observed with highest against S. aureus (96 % inhibition at MIC) and lowest against E. coli (46 % at MIC/4). Molecular docking and ADMET in silico studies were consistent with previous in vitro findings, revealing favourable binding affinities and pharmacokinetic properties. This study confirms rosemary EO's potential as an effective antioxidant, antibacterial, and antibiofilm agent. Therefore R. officinalis essential oil may serve as a promising natural therapeutic component for use in traditional medicine, aromatherapy, and future pharmaceutical formulations.
产自摩洛哥瓦尔扎扎特的迷迭香精油具有显著的抗菌、抗氧化和抗生物膜活性。一个全面的物理化学特性确定了主要的生物活性化合物负责这些作用。通过加氢蒸馏得到EO,提取的EO采用气相色谱-质谱(GC-MS)分析其化学成分。物理化学表征包括衰减全反射傅立叶变换红外光谱(ATR-FTIR)光谱,紫外-可见分光光度法,旋光度(°),折射率,溶解度和密度测量。其主要成分为α-蒎烯、桉树醇和樟脑,其理化性质为旋光度为+ 6.5°,折射率为1.47,密度为0.792。使用DPPH自由基清除试验评估抗氧化活性,显示出52 %的抑制作用,而抗菌试验显示对革兰氏阳性和革兰氏阴性细菌的生长具有很强的抑制活性,抑制范围从7.33 mm(铜绿假单胞菌)到20.83 mm(肺炎克雷伯菌),而mic范围从0.20 µL/ml(克氏杆菌)到6.45 µL/ml(肠球菌和耐多药大肠杆菌)。此外,观察到显著的抗菌膜活性,对金黄色葡萄球菌的抑制作用最高(MIC抑制96% %),对大肠杆菌的抑制作用最低(MIC/4抑制46% %)。分子对接和ADMET在计算机上的研究与之前的体外研究结果一致,显示出良好的结合亲和力和药代动力学特性。这项研究证实了迷迭香精油作为一种有效的抗氧化剂、抗菌剂和抗生物膜剂的潜力。因此,马蹄草精油可以作为一种有前途的天然治疗成分,用于传统医学、芳香疗法和未来的药物配方中。
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引用次数: 0
Dose dependent behavioral effects of agmatine in rats 胍丁胺对大鼠的剂量依赖性行为影响
Pub Date : 2026-01-21 DOI: 10.1016/j.prenap.2026.100528
Hira Rafi , Hamna Rafiq , Muhammad Farhan

Background

Agmatine, a decarboxylated metabolite of L-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.

Objective

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.

Methods

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 < 0.05).

Results

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 < 0.01), while anxiolytic effects were observed across all doses in both the elevated plus maze and light/dark transition tasks (p < 0.01). Cognitive function improved significantly, as shown by reduced escape latencies during training, acquisition, and retention phases of the Morris water maze (p < 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.

Conclusion

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.
胍丁氨酸是l -精氨酸的一种脱羧代谢物,通过调节NMDA受体、单胺途径和抗氧化防御,具有神经保护、抗抑郁和抗焦虑的特性。虽然其治疗潜力已得到充分认识,但其剂量依赖性行为和生化效应仍未充分表征。目的研究胍丁胺对大鼠运动活动、焦虑样和抑郁样行为、认知表现和氧化应激标志物的慢性剂量依赖性影响。方法salbino Wistar大鼠(n = 24只)按50、100、200 mg/kg剂量口服胍丁胺28 d,对照组饮水。行为学评估包括开阔场地测试、强迫游泳测试、高架加迷宫、明暗转换测试和Morri水迷宫。从脑匀浆中定量测定氧化应激标志物(MDA、SOD、CAT、GSH、GPx)。统计学分析采用单因素方差分析(p <; 0.05)。结果胍丁氨酸对小鼠运动和探索能力有明显的剂量依赖性改善,其中以100和200 mg/kg的效果最为显著。在强迫游泳测试中,抗抑郁样行为通过增加挣扎表现明显(p <; 0.01),而在升高的迷宫和光/暗过渡任务中,所有剂量的抗焦虑作用都被观察到(p <; 0.01)。Morris水迷宫的训练、习得和保留阶段的逃避潜伏期减少,表明认知功能显著改善(p <; 0.01)。生物化学上,胍丁氨酸以剂量依赖的方式减少脂质过氧化和提高酶的抗氧化活性。100 mg/kg剂量持续产生最强的行为和抗氧化反应。结论慢性给药agmatine具有良好的剂量依赖性行为和神经保护作用,最佳有效剂量为100 mg/kg。这些发现支持agmatine作为治疗焦虑、抑郁、认知障碍和氧化应激的安全候选药物。
{"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}
引用次数: 0
Unraveling the therapeutic potential of Firmiana colorata bark extract: GC-MS profiling, pharmacological studies, and protein-ligand interaction analysis for pain, fever, and inflammation 揭示花楸树皮提取物的治疗潜力:气相色谱-质谱分析、药理学研究和疼痛、发烧和炎症的蛋白质-配体相互作用分析
Pub Date : 2026-01-20 DOI: 10.1016/j.prenap.2026.100523
Saurav Singha, Md. Ekramul Haque Ekram , Md. Liakot Ali , Md. Mahmudul Hasan , Md. Tanveer Ahsan

Background

Firmiana colorata, also referred to as "Mula," is a traditional medicinal plant in China and the Indian subcontinent.

Objective

This study aimed to evaluate the antinociceptive, antipyretic, and anti-inflammatory activities of the methanol extract of Firmiana colorata’s bark (MEFCB) in rodent models.

Methods

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.

Results

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 in silico 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 < 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).

Conclusion

Firmiana colorata 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.
花椰菜,也被称为“木拉”,是中国和印度次大陆的一种传统药用植物。目的研究大黄树皮甲醇提取物(MEFCB)的抗炎、解热和抗炎作用。方法对MEFCB进行定性植物化学分析和气相色谱-质谱联用(GC-MS)。在给药剂量为200 mg/kg和400 mg/kg的动物模型中,采用福尔马林诱导的舔爪试验和醋酸诱导的扭体反应来评估其抗伤感受活性。而用啤酒酵母诱导的发热和卡拉胶诱导的足跖水肿来评估其解热和抗炎特性。结果经植物化学定性筛选,提取液中含有生物碱、单宁、苷类和黄酮类化合物。树皮提取物的GC-MS图谱显示了22种植物化学物质。利用硅通度预测、ADME/T和分子对接对植物化学物质进行了评估。提取物的抗伤感受作用显示在扭体和舔爪方法中有所下降。在解热调查中,发热明显降低。此外,在抗炎试验中观察到足部水肿明显减少(P <; 0.001)。顶部化合物1,2-苯二醇,o(3-甲基-2-烯丙基)-o ' -(pivaloyl)-6表现出很强的结合亲和力,与关键药物靶蛋白环氧化酶-1 (PDB ID: 2OYE)和环氧化酶-2 (PDB ID: 6COX)的结合得分分别为−8和−7.9 (kcal/mol)。结论大红叶是治疗疼痛、发热、炎症的重要生物活性物质来源。然而,需要更多的研究来探索其全部治疗潜力。
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引用次数: 0
Unlocking the phytochemical contents and therapeutic potential of Litsea monopetala leaves: Hypoglycemic and antibacterial activities 揭示山杞子叶的植物化学成分和治疗潜力:降糖和抗菌活性
Pub Date : 2026-01-20 DOI: 10.1016/j.prenap.2026.100527
Zubair Khalid Labu , Samira Karim , Rahima Akter , Sarder Arifuzzaman , Md. Hasibul Hassan , Md. Nahid Hasan , Atiqur Rahman , Md. Tarekur Rahman , Md. Ataur Rahman , Asma Akhtar
Litsea monopetala (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 < 0.01). In normal mice, the 500 mg/kg dose also caused a significant reduction (p < 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 < 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.
Litsea monopetala (LM)和树皮外用治疗肿胀、瘀伤、皮肤感染和炎症。有时,叶子煎剂被用作局部洗剂或温和的茶,用于消化系统疾病和发烧;然而,内部使用仍然有限,并受当地知识的指导。本研究旨在通过评估LM叶的降糖和抗菌特性来科学地验证这些传统用途。采用冷提法制备甲醇提取物,通过标准植物化学技术和高效液相色谱分析,发现其含有高浓度的酚类和类黄酮化合物。小鼠口服葡萄糖耐量试验表明,250 mg/kg和500 mg/kg剂量均可显著降低血糖水平,较高剂量的效果与格列本脲相当。四氧嘧啶诱导的糖尿病小鼠血糖水平在第7天从240.90±6.16-145.17±4.19 mg/dL下降(p < 0.01)。在正常小鼠中,500 mg/kg剂量也引起显著降低(p < 0.01)。采用盘片扩散法评价其抑菌活性,400 μg剂量下,其抑菌范围为10 ~ 21 mm,其中四氯化碳溶出部分、氯仿溶出部分和乙酸乙酯溶出部分的抑菌效果更强(p < 0.05)。这些发现支持了LM的传统用途,并提示其发展为降糖药和抗菌剂的潜力。结果支持了LM叶的传统用途,突出了强大的降糖和抗菌潜力。这些作用可能与丰富的酚类和类黄酮含量有关,表明了未来治疗应用的希望。
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引用次数: 0
期刊
Pharmacological Research - Natural Products
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