Study on the potential mechanism of naoshuantong capsule in treating cerebral infarction based on net-work pharmacology and molecular docking
10.3969/j.issn.1671-332X.2024.01.036
- VernacularTitle:基于网络药理学和分子对接探索脑栓通胶囊治疗脑梗死的潜在机制研究
- Author:
Hong ZHOU
1
;
Jie LEI
;
Huan CHENG
Author Information
1. 武汉市第一医院 湖北武汉 430000
- Keywords:
Naoshuantong Capsule;
Cerebral Infarction;
Network Pharmacology;
Molecular Docking
- From:
Modern Hospital
2024;24(1):134-139
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the possible mechanism of Naoshuantong capsule in the treatment of cerebral infarction by network pharmacology and molecular docking technology.Methods The main active ingredients and targets of Naoshuantong Capsule were screened based on the TCMSP database.At the same time,the targets related to cerebral infarction were collected through GeneCards,OMIM,PharmGKB,TTD and DrugBank databases,and the intersection targets of drugs and diseases were obtained using InteractiVenn platform.Cytoscape software was used to construct the"active ingredient-disease target"network model.STRING database and Cytoscape software were used to construct protein interaction network diagrams,and core targets were screened according to the degree.GO functional analysis and KEGG pathway enrichment analysis were performed on inter-secting targets using R language.Finally,AutoDock Vina and Symol were used to molecularly dock the active components in the"active ingredient-disease target"network with protein targets.Results 23 active ingredients and 264 related potential targets of Naoshuantong Capsule were collected;2,043 targets related to cerebral infarction were also collected;149 common targets were obtained by the intersection of the two.It mainly acts on JUN,TNF,IL6,NFKBIA and so on,which mainly involve TNF signa-ling pathway,IL-17 signaling pathway,NF-kappa B signaling pathway and apoptosis pathway to play a role in the treatment of cerebral infarction.Molecular docking results showed that the active components of drugs in the network bind well to target pro-teins.Conclusion This study preliminarily revealed the potential multi-component,multi-target and multi-pathway mecha-nism of Naoshuantong Capsule for cerebral infarction by network pharmacology,molecular docking and bioinformatics analysis.
