生物灾害科学2025，Vol.48Issue(3)：319-329,11.DOI:10.3969/j.issn.2095-3704.2025.03.41
基于网络药理学和分子对接探究凤榴止泻口服液抗腹泻的作用机制
The investigation of the action mechanism of Fengliu antidiarrheal oral liquid based on the network pharmacology and molecular docking
摘要
Abstract
[Objective]Fengliu Zhixie(anti-diarrheal)Oral Liquid has been granted a Chinese invention patent.This study investigated the active components and action mechanism of Fengliu Zhixie Oral Liquid in treating diarrhea through the network pharmacology and molecular docking.[Method]Potential active components and target proteins were screened from the TCMSP database.A drug-target network was constructed by using Cytoscape 3.9.1 software.Disease targets were identified through Genecards database search with deduplication,followed by intersection analysis via Wayne's network.Protein-protein interaction(PPI)networks were built by using STRING database,with GO functional and KEGG pathway enrichment analyses conducted through DAVID.AutoTools software was employed to the molecular docking between active substances and disease targets,visualized by using PYMOL 2.6.[Result]Sixty-six active components and 1,148 disease targets were identified,including 42 shared targets.GO functional analysis yielded 279 entries,while KEGG pathway enrichment revealed 111 enriched pathways.Molecular docking results demonstrated stable binding capabilities between key active components(luteolin,scutellarein,quercetin,and kaempferol)and core targets(AKT1,IL1β,IL6,and TNF).[Conclusion]The preliminary research findings indicate that Fengliu Zhixie Oral Liquid primarily exerts its therapeutic effects through bioactive components including luteolin,baicalin,quercetin,and kaempferol.These compounds regulate key biological targets such as AKT1,IL-1β,IL-6,and TNF,thereby synergistically modulating signaling pathways including neurotrophic factor,relaxin,B-cell receptor,thyroid hormone,and Ras signaling systems to achieve to comprehensive diarrhea management.关键词
网络药理学/分子对接/凤榴止泻口服液/腹泻/作用机制/信号通路Key words
network pharmacology/molecular docking/Fengliu antidiarrheal oral liquid/diarrhea/mechanism of action/signal pathway分类
农业科技引用本文复制引用
张坤,刘霞,刘思丽,柳玉新,桑维茜,李奕轩,王小莺..基于网络药理学和分子对接探究凤榴止泻口服液抗腹泻的作用机制[J].生物灾害科学,2025,48(3):319-329,11.基金项目
江西农业大学兽药研究所建设资金项目(9232306300) （9232306300）
