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马齿苋种子的植物化学筛选、抗氧化和抗菌分析以及计算机模拟分子对接见解

Phytochemical screening, antioxidant, and antimicrobial analysis of Portulaca oleracea seeds with in-silico molecular docking insights.

作者信息

Sheikh Khursheed Ahmad, Mir Reyaz Hassan, Dar Mohammad Ovais, Wali Adil Farooq, Qadir Insha, Nazir Sheeba, Zargar Mohammed Iqbal, Talath Sirajunisa, Sridhar Sathvik B, Shareef Javedh, Masoodi Mubashir Hussain

机构信息

Pharmaceutical Chemistry Division, Department of Pharmaceutical Sciences, School of Applied Sciences and Technology, University of Kashmir, Hazratbal, Srinagar 190006 Kashmir, India; Pharmaceutical Chemistry, School of Pharmaceutical Education and Research (SPER), Jamia Hamdard, Hamdard Nagar, New Delhi, India.

Pharmaceutical Chemistry Division, Department of Pharmaceutical Sciences, School of Applied Sciences and Technology, University of Kashmir, Hazratbal, Srinagar 190006 Kashmir, India.

出版信息

J Genet Eng Biotechnol. 2025 Sep;23(3):100516. doi: 10.1016/j.jgeb.2025.100516. Epub 2025 Jun 18.

Abstract

BACKGROUND

Portulaca oleracea (PO), an annual succulent herb with global distribution, has been used medicinally since ancient times, earning the title "global panacea."

AIM

This study aimed to perform phytochemical screening, antioxidant and antimicrobial analysis of PO seeds, including GCMS analysis of methanolic extract and molecular docking for antimicrobial mechanisms.

MATERIALS AND METHODS

PO seeds underwent phytochemical screening and methanolic extract analysis via DPPH, NO radical scavenging, and reducing power assays. Antimicrobial activity was tested against bacteria and fungi, with GCMS identifying compounds. Molecular docking was conducted via Autodock vina, against targets beta-tubulin (5FNV) and ABC transporter (6J9W).

RESULTS

Methanolic extract showed strong antioxidant activity (IC: 125.2 µg/ml for DPPH, 402.89 µg/ml for NO) and concentration-dependent reducing power. It was highly effective against Saccharomyces cerevisiae and Hypochrea viridescens. GCMS identified colchicine, n-decanoic acid, and triepoxydecane, with colchicine showing high binding affinity to protein targets.

CONCLUSION

The methanolic extract's potent antioxidant and antimicrobial effects, supported by colchicine's binding affinity, validate PO's medicinal potential, suggesting further therapeutic exploration.

摘要

背景

马齿苋是一种一年生肉质草本植物,全球分布,自古以来就被用于医学,被誉为“全球万灵药”。

目的

本研究旨在对马齿苋种子进行植物化学筛选、抗氧化和抗菌分析,包括甲醇提取物的气相色谱 - 质谱联用(GCMS)分析以及抗菌机制的分子对接。

材料与方法

对马齿苋种子进行植物化学筛选,并通过二苯基苦味酰基自由基(DPPH)、一氧化氮(NO)自由基清除和还原能力测定对甲醇提取物进行分析。测试其对细菌和真菌的抗菌活性,用GCMS鉴定化合物。通过Autodock vina进行分子对接,针对靶标β - 微管蛋白(5FNV)和ABC转运蛋白(6J9W)。

结果

甲醇提取物显示出较强的抗氧化活性(DPPH的半数抑制浓度(IC):125.2μg/ml,NO的为402.89μg/ml)和浓度依赖性还原能力。它对酿酒酵母和绿核菌高度有效。GCMS鉴定出秋水仙碱、正癸酸和三环氧癸烷,秋水仙碱对蛋白质靶标显示出高结合亲和力。

结论

甲醇提取物的强抗氧化和抗菌作用,以及秋水仙碱的结合亲和力,证实了马齿苋的药用潜力,表明可进行进一步的治疗探索。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1871/12219364/6343a661fee9/gr1.jpg

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