首页|基于网络药理学和分子对接技术预测西洋参抗衰老的作用机制

基于网络药理学和分子对接技术预测西洋参抗衰老的作用机制

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基于网络药理学联合分子对接技术探讨西洋参抗衰老的潜在有效成分及其作用机制。利用斑马鱼衰老模型评价西洋参的抗衰老活性;使用数据库筛选出西洋参活性成分及其与抗衰老相关的潜在靶点,并绘制蛋白互作网络(PPI),筛选核心靶点;对核心靶点进行富集分析和分子对接验证。SA-β-Gal染色结果表明西洋参具有显著的抗衰老活性。数据库筛选出西洋参活性成分 11 个,抗衰老的潜在核心靶点AKT1、STAT3、JUN等53 个。GO和KEGG分析的结果显示西洋参的抗衰老作用可能涉及对外源刺激的反应、凋亡过程负向调控、PI3K-AKT信号通路、ErbB信号通路等。分子对接结果显示有效成分polyacetylene PQ-2和PQ-2与关键靶点结合紧密,AKT1 和HRAS与多种成分结合紧密。西洋参可能通过polyacetylene PQ-2和PQ-2等多种成分作用于AKT1、HRAS、MAPK1 等多个靶点,进而通过调节内分泌抵抗、ErbB信号通路等多条通路发挥抗衰老作用,为西洋参在抗衰老应用方面提供了理论基础。
Prediction of anti-aging mechanism of Panax quinquefolius L.by network pharmacology and molecular docking
The aim of this study was to explore the potential effective ingredients and mechanism of action of Panax quinquefolius L.in anti-aging based on network pharmacology and molecular docking.The anti-aging activity of P.quinquefolius L.was evaluated in a zebrafish aging model.The active ingredients of P.quinquefolius L.and their potential targets related to anti-aging were screened using databases,and protein-protein interaction networks(PPI)were mapped to screen core targets.Enrichment analysis and molecular docking verification of the core targets were performed.SA-β-Gal staining results showed that P.quinquefolius L.exerted significant anti-aging activity.Database screening identified 11 active ingredients and 53 potential core targets of P.quinquefolius L.in anti-aging,such as AKT1,STAT3,and JUN.The results of GO and KEGG analysis showed that the anti-aging effects of P.quinquefolius L.may involve factors including xenobiotic stimulus response,negative regulation of apoptotic processes,PI3K-AKT signaling pathway,ErbB signaling pathway.Molecular docking results showed that polyacetylene PQ-2 and PQ-2 were tightly bound with their core targets,and tight binding was also seen with AKT1 and HRAS with various active ingredients.P.quinquefolius L.may act on multiple targets such as AKT1,HRAS,and MAPK1 through polyacetylene PQ-2,PQ-2,and other ingredients,and then regulate multiple pathways such as endocrine resistance,ErbB signaling pathway,and other mechanisms to exert an anti-aging effect.Collectively,these dataprovide a theoretical basis for the application of P.quinquefolius L.in anti-aging.

Panax quinquefolius L.anti-agingnetwork pharmacologymolecular dockingmechanism of actionzebrafish model

范伟、沈川琳、张轩铭、杜兴硕、展文、孙晨、靳梦、李晓彬、张思晨、孙博通、何秋霞

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齐鲁工业大学(山东省科学院) 山东省科学院生物研究所山东省人类疾病斑马鱼模型与药物筛选工程技术研究中心,山东 济南 250103

齐鲁工业大学(山东省科学院) 高新技术产业(中试)基地,山东 济南 250103

西洋参 抗衰老 网络药理学 分子对接 作用机制 斑马鱼模型

2024

山东科学
山东省科学院

山东科学

CSTPCD
影响因子:0.266
ISSN:1002-4026
年,卷(期):2024.37(6)