中药与临床2025，Vol.16Issue(3)：51-57,7.
基于网络药理学及分子对接探究复方丹参滴丸预防急性高原病的有效成分及分子靶点
The effective components and molecular targets of Compound Danshen Drop Pills to prevent acute mountain sickness based on network pharmacology and molecular docking
摘要
Abstract
Objective:To investigate the preventive mechanism of Compound Danshen Dripping Pills(CDDP)against acute mountain sickness(AMS)using network pharmacology and molecular docking,and to provide theoretical support for its clinical application.Methods:The main active components and corresponding targets of CDDP were firstly retrieved from the TCMSP database.Then AMS-related targets were identified via GeneCards,OMIM,and DisGeNET databases.Venny 2.1.0 was used to determine overlapping targets between CDDP and AMS.The component-target-disease network and protein-protein interaction(PPI)network were constructed using STRING database and Cytoscape software,followed by identification of core components and targets.GO functional enrichment and KEGG pathway analyses of overlapping targets were performed via DAVID database.Molecular docking and visualization of core components and targets were conducted using AutoDock and PyMOL.Results:76 active components(from Salvia miltiorrhiza,Panax notoginseng,and Borneol)and 744 CDDP-related targets were identified,alongside 487 AMS-specific targets.68 intersection targets of drug and disease were screened.Luteolin,Quercin and miltirone Ⅱ were the core compounds of drug action.ESR1,EGFR and PTPN11were the core targets.414 items were obtained from GO analysis.85 related pathways were obtained from KEGG analysis.The mechanism of CDDP preventing AMS mainly involved cancer signaling pathway,HIF-1 signaling pathway,AGE-RAGE signaling pathway in diabetes complications,hepatitis B,central carbon metabolism in cancer,etc.Molecular docking results showed that the CDDP component miltironeII was stable with the core targets.Conclusion:CDDP exerts multi-component,multi-target,and multi-pathway effects against AMS,potentially via antioxidative stress and anti-inflammatory mechanisms.This study provides a pharmacological basis for CDDP's clinical application in AMS prevention.关键词
复方丹参滴丸/急性高原病/网络药理学/分子对接Key words
Compound Danshen Drop Pills/acute mountain sickness/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
范璐,张文,曾洁萍..基于网络药理学及分子对接探究复方丹参滴丸预防急性高原病的有效成分及分子靶点[J].中药与临床,2025,16(3):51-57,7.基金项目
西藏自治区科技创新基地自主研究项目(XZ2021JR0004G) （XZ2021JR0004G）
