药食同源杂志2025，Vol.1Issue(2)：60-68,9.
基于网络药理学和分子对接技术揭示人参-茯苓药对治疗代谢综合征的潜在机制
Potential mechanism of Renshen(Ginseng Radix et Rhizoma)-Fuling(Poria)medicine pair in treating metabolic syndrome based on network pharmacology and molecular docking technology
摘要
Abstract
Objective To systematically investigate the multi-target synergistic mechanism of Renshen(Ginseng Radix et Rhizoma)-Fuling(Poria)medicine pair in treating metabolic syndrome(MetS)based on network pharmacology and molecular docking technology.Methods The TCMSP database was used to screen the active ingredients of Rensheng(Ginseng Radix et Rhizoma)and Fuling(Poria),with oral bioavailability(OB)≥30%and drug likeness(DL)≥0.18 set as the screening criteria.MetS-related disease targets were obtained by pooling GeneCards and OMIM databases,and a"component-target-disease"network was constructed by Cytoscape 3.10.2.GO functional enrichment analysis and KEGG pathway analysis were performed using DAVID.Molecular docking validation was conducted with AutoDock Tools version 1.5.6.Results A total of 29 core active ingredients such as ginsenosides and poricoic acids were screened,and 52 key overlapping targets were identified,among which PTGS2,PPARG,BCL2,and TNF were determined as the core regulatory targets.GO enrichment analysis indicated that the biological processes(BP)mainly involved inflammatory response,lipid metabolism,and insulin signaling regulation.The cellular component(CC)was significantly enriched in the mitochondrial inner membrane,protein complex,and chromosomal region.The molecular function(MF)was primarily associated with protein kinase binding,DNA sequence-specific binding,and oxidoreductase activity.KEGG pathway analysis showed that the AGE-RAGE signaling pathway,insulin resistance pathway,and PPAR signaling pathway were the key pathways involved.Molecular docking results confirmed that ginsenoside Rh4 exhibited stable binding activity with TNF(binding energy:-7.0 kcal/mol)and β-sitosterol with PPARG(binding energy:-7.3 kcal/mol),and pachymaran also showed potential binding ability with BCL2(binding energy:-6.4 kcal/mol).Key hydrogen bond interaction sites included Gln114 of TNF,Ala243 of PPARG,and Ser51 of BCL2.Conclusion The Renshen(Ginseng Radix et Rhizoma)-Fuling(Poria)medicine pair can regulate the expression of inflammatory factors,maintain the steady state of glucose and lipid metabolism,and enhance insulin sensitivity through multi-target synergistic regulation.By network pharmacology and molecular docking approaches,this study reveals the"multi-component,multi-target,multi-pathway"mechanism of action of this medicine pair,thereby providing the scientific basis for dietary intervention strategies in MetS.关键词
代谢综合征/人参-茯苓药对/网络药理学/分子对接Key words
metabolic syndrome/Renshen(Ginseng Radix et Rhizoma)-Fuling(Poria)medicine pair/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
叶殷殷,兰小群,林亚华,杜程,舒洁倩,郭雨筝..基于网络药理学和分子对接技术揭示人参-茯苓药对治疗代谢综合征的潜在机制[J].药食同源杂志,2025,1(2):60-68,9.基金项目
校级特色创新项目(2024TSYB21) （2024TSYB21）
广东省教育厅特色创新项目(2022KTSCX386). （2022KTSCX386）
