成都中医药大学学报2024，Vol.47Issue(2)：29-38,10.DOI:10.13593/j.cnki.51-1501/r.2024.02.029
基于网络药理学与分子对接研究中药乐脉颗粒治疗冠心病心绞痛的活性物质及作用机制
Active Ingredients and Mechanism of Lemai Granules in Treatment of Angina Pectoris in Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:Based on network pharmacology and molecular docking technology,the material basis and mechanism of action of Lemai granules in the treatment of angina pectoris in coronary heart disease were explored.Methods:The chemical composition in-formation of Le Pulse particles was collected through TCMSP,ETCMand other databases and literature search;Active ingredient tar-gets were collected using the SwissTargetPrediction database;Disease targets are collected through databases such as GeneCards and DisGeNet;Use Venny to obtain intersection targets and draw Wayne diagrams;The DAVID database was used for biofunction annota-tion and enrichment analysis;Cytoscape software was used to construct a target network of active ingredient-angina pectoris for coro-nary heart disease and perform network topological analysis;Molecular docking verification via AutoDock.Results:There are 176 chemical components and 975 targets in 7 medicinal herb of Lemai granules,234 targets in angina pectoris in coronary heart disease,and 65 targets in diseases and components;Network pharmacology technology analyzed the main active ingredients of Lemai granules by salvianolic acid A,Albiflorin,Danshenxinkun D,Linoleic Acid,Tanshinaldehyde,Quercetin and Peoniflorin,it participates in vari-ous signaling pathways such as PI3K-Akt signaling pathway,HIF-1 signaling pathway,TNF signaling pathway and calcium signaling pathway,it acts on key targets such as IL-6,MMP-9,TNF and ICAM-1 to affect pathological processes such as inflammatory response,hypoxia response and thrombosis,The molecular docking results showed that the binding between the main components and the core target was good.Conclusion:The treatment of angina pectoris in coronary heart disease has the characteristics of multi-component,multi-target and multi-pathway,its mechanism of action is mainly related to reducing inflammatory response and inhibiting platelet ag-gregation.关键词
乐脉颗粒/冠心病/心绞痛/网络药理学/分子对接/作用机制Key words
Lemai granules/Coronary heart disease/Angina pectoris/Network pharmacology/Molecular dockin/Mechanism of action分类
医药卫生引用本文复制引用
汪明君,毛洁,王伟,陈璐,王光志..基于网络药理学与分子对接研究中药乐脉颗粒治疗冠心病心绞痛的活性物质及作用机制[J].成都中医药大学学报,2024,47(2):29-38,10.基金项目
四川省科技厅科技成果转移转化示范项目(2022ZHCG0094) （2022ZHCG0094）
