世界科学技术-中医药现代化2026，Vol.28Issue(4)：1048-1062,15.DOI:10.11842/wst.20251216007
基于网络药理学与分子对接技术探讨柴胡-黄芩治疗酒精性肝损伤的作用机制
Mechanism of Bupleurum-Scutellaria in Treatment of Alcoholic Liver Injury Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To investigate the therapeutic targets and potential mechanisms of Bupleurum-Scutellaria in the treatment of alcoholic liver injury.Methods Active ingredients of Bupleurum-Scutellaria were collected and screened via the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP)and SwissADME database.Potential targets of active ingredients were identified by joint queries in the Swiss Target Prediction,HERB,and TCMSP databases.Disease targets associated with alcoholic liver injury were retrieved from the GeneCards and OMIM databases.Intersecting drug-disease targets were screened using Venn diagram analysis.The STRING data analysis platform and Cytoscape software were employed to construct protein-protein interaction(PPI)networks and"herb pair-active ingredients-targets-disease"multi-layer networks.Core targets and ingredients were selected based on topological analysis.Functional enrichment analysis of potential targets was performed using the Metascape database.AutoDock Vina was conducted to verify the binding affinity between core ingredients and targets.Cell experiments were conducted to validate the anti-alcoholic hepatocyte injury activity of the predicted core components and to investigate the underlying mechanism.Results A total of 41 active ingredients and 871 potential targets were screened from Bupleurum-Scutellaria,with 193 intersecting targets with alcoholic liver injury.Five core targets(TP53,AKT1,EGFR,STAT3,and IL6)and five core ingredients(quercetin,wogonin,kaempferol,baicalein,and acacetin)were identified through topological parameter screening.Enrichment analysis revealed that the potential targets were primarily involved in biological processes including the positive regulation of cell migration and motility,apoptotic signaling pathways,and MAPK cascade.The related pathways enriched in pathways in cancer,PI3K-Akt signaling pathway,MAPK signaling pathway,hepatocellular carcinoma signaling pathway.Molecular docking confirmed that both the core ingredients and the core targets had good binding activity.Cell experiments confirmed that quercetin and wogonin significantly increased the viability of ethanol-induced injured AML-12 cells,effectively reversed the aberrant expression of p-AKT/AKT and p-ERK1/2/ERK1/2,and exhibited a superior synergistic protective effect when used in combination.Conclusions Bupleurum-Scutellaria may exert its effects through core ingredients such as quercetin,wogonin,and kaempferol,acting on key targets including TP53,AKT1,and EGFR,thereby regulating multiple signaling pathways including cancer,PI3K-Akt,and MAPK.The multi-ingredient,multi-target,and multi-pathway synergistic effect demonstrates its therapeutic potential for alcoholic liver injury,providing a reference for subsequent development and mechanism elucidation.关键词
柴胡-黄芩/酒精性肝损伤/网络药理学/分子对接/作用机制Key words
Bupleurum-Scutellaria/Alcoholic liver injury/Network pharmacology/Molecular docking/Mechanism分类
医药卫生引用本文复制引用
严家伟,钟琳瑛,邱崇,夏斐,王继刚,钟田雨..基于网络药理学与分子对接技术探讨柴胡-黄芩治疗酒精性肝损伤的作用机制[J].世界科学技术-中医药现代化,2026,28(4):1048-1062,15.基金项目
国家自然科学基金委员会地区科学基金项目(82260422):肝癌细胞来源小细胞外囊泡通过CD147促进内皮细胞血管新生的机制及其诊断价值研究,负责人:钟田雨. （82260422）
