实用中医内科杂志2025，Vol.39Issue(8)：12-15,后插1-后插4,8.DOI:10.13729/j.issn.1671-7813.Z24121909
基于网络药理学和分子对接法探讨消瘰丸治疗肺结节的作用机制
Exploration of the Mechanism of the XiaoLuo Pills in the Treatment of Pulmonary Nodule based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective Network pharmacology and molecular docking methods were used to screen the active ingredients of Xia-oLuo Pills and explore the mechanism of action of XiaoLuo Pills in the treatment of lung nodules.Methods TCMSP database,BATMAN-TCM database and related literature platforms were utilized to screen the effective active ingredients of XiaoLuo Pills.Lung nodule-related genes were obtained from GeneCard and OMIM databases.Common targets of drug targets and diseases were obtained as potential pharmacological targets using Venny 2.1.0 tool.Potential drug targets were used to draw the PPI net-work,key targets and analyzed by GO and KEGG enrichment,and molecular docking studies of key targets were performed using Autodock software.Results A total of 23 active ingredients and 450 targets of XiaoLuo pills were screened by searching,and 1856 lung nodule targets were obtained,and 450 genes were obtained for the intersection of the two;PPI analysis yielded ALB,MMP9,ATK1,and SRC as the core gene targets,and molecular docking was performed,and it was found that glutamic acid,chakosaponin,gensenoside A_qt,14-desoxyl-12(R)-and 14-deoxy-12(R)-sulfoandrographolide bind well to ALB,MMP9,ATK1,and SRC targets with a high degree of match.Conalusion XiaoLuo pills can treat lung nodules through the syner-gistic effect of multi-components,multi-targets and multi-pathways,and the mechanism may be related to the effective com-ponents and targets acting on cancer-related pathway,relaxin signaling pathway and PI3K-Akt signaling pathway.关键词
肺结节/消瘰丸/网络药理/分子机制Key words
Pulmonary nodules/XiaoLuo pill/Network pharmacology/Molecular mechanism分类
医药卫生引用本文复制引用
刘宗林,李少峰,兰智慧,王蒙,危佳敏..基于网络药理学和分子对接法探讨消瘰丸治疗肺结节的作用机制[J].实用中医内科杂志,2025,39(8):12-15,后插1-后插4,8.基金项目
国家自然科学基金项目(82060841) （82060841）
江西省中医药中青年骨干人才培养计划项目(赣中医药科教字[2022]7号) （赣中医药科教字[2022]7号）
