Research the Molecular Mechanism of Angelica Dahurica against Pigmentation based on Network Pharmacology and Molecular Docking
陈淮臣 1张桉 1王勇志1
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作者信息
1. 华熙生物科技股份有限公司,山东 济南 250101
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摘要
目的:运用网络药理学和分子对接技术预测白芷抗色素沉积的有效成分、靶点及通路.方法:在TCMSP数据库中筛选白芷的主要成分和靶点;利用Gene Cards数据库获取疾病靶点,使用STRING构建PPI网络实现蛋白交互作用分析;在DAVID平台解析白芷抗色素沉积所涉及的生物过程和通路;最后在Auto dock Tools1.5.7 软件中进行分子对照试验.结果:白芷抗色素沉积的成分主要有豆甾醇、β-谷甾醇、别欧前胡素等;分子对接证明,β-谷甾醇与TGFB1、别欧前胡素与 CDK1 的结合活性最强.结论:本研究初步确定了白芷改善色素沉着的多个分子靶点和途径.
Abstract
Objective:To predict the effective components,targets and pathways of Angelica angelica anti-pigmentation by using network pharmacology and molecular docking techniques.Methods:The main components and targets of Angelica angelica were screened in TCMSP database.Gene Cards database was used to obtain disease targets,and STRING was used to construct PPI network for protein interaction analysis.The biological processes and pathways involved in anti-pigmentation of Angelica were analyzed on the DAVID platform.Finally,molecular docking experiments were carried out in Auto dock Tools1.5.7 software.Results:The main anti-pigmentation components of Angelica angelica were stigmasterol,β-sitosterol,prangenidin,etc.Molecular docking showed that β-sitosterol had the strongest binding activity with TGFB1 and prangenidin with CDK1.Conclusion:This study preliminarily identified several molecular targets and pathways of Angelica angelica to improve pigmentation.
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