文献类型：期刊文献

中文题名：基于网络药理学和分子对接探讨黄芪治疗溃疡性结肠炎相关性结直肠癌作用机制

英文题名：Investigation of the mechanism of Astragalus membranaceus in the treatment of ulcerative colitis-related colorectal cancer based on network pharmacology and molecular docking

作者：宁月[1,2,3];寇贤丽[4];王蒙[1,2,3];邵利华[1,2,3];韩静[5];李海龙[1,2,3]

第一作者：宁月

机构：[1]甘肃中医药大学第一临床医学院,甘肃兰州730101;[2]甘肃省中药新产品创制工程实验室,甘肃兰州730000;[3]甘肃省中医方药挖掘与创新转化重点实验室,甘肃兰州730000;[4]甘肃省中医院神志病睡眠中心,甘肃兰州730050;[5]甘肃中医药大学附属医院老年病科,甘肃兰州730020

第一机构：甘肃中医药大学临床医学院

年份：2026

卷号：43

期号：2

起止页码：45

中文期刊名：甘肃中医药大学学报

外文期刊名：Journal of Gansu University of Chinese Medicine

基金：甘肃中医药大学科学研究与创新基金项目(2019KCZD-5)。

语种：中文

中文关键词：黄芪;溃疡性结肠炎;直肠癌;网络药理学;分子对接

外文关键词：Astragalus membranaceus;ulcerative colitis;colorectal cancer;network pharmacology;molecular docking

摘要：目的基于网络药理学和分子对接探讨黄芪治疗溃疡性结肠炎相关性结直肠癌(UC-CRC)的作用机制。方法通过中药系统药理学数据库与分析平台(TCMSP)获取黄芪主要活性成分及其靶点,利用在线人类孟德尔遗传(OMIM)、药物靶标(TTD)、基因卡片(GeneCards)、Drugbank数据库获取UC-CRC的疾病相关靶点,借助微生信网站获取黄芪和UC-CRC的交集靶点,使用Cytoscape 3.8.0软件构建“活性成分-疾病靶点-通路”网络,最后运用AutoDock软件对关键靶点与活性成分进行分子对接验证。结果从黄芪中共筛选出13种活性成分,对应潜在作用靶点188个;排名前五的核心活性成分为槲皮素、山奈酚、芒柄花黄素、异鼠李素及7-O-甲基异木糖醇,排名前五的关键靶点为前列腺素内过氧化物合酶(PTGS)2、V-Rel网状内皮增生病毒癌基因同源物A(RELA)、过氧化物酶体增殖物激活受体γ(PPARG)、蛋白激酶Bα(AKT1)及PTGS1;分子对接结果显示,主要活性成分与对应靶点之间具有较好的结合活性。结论黄芪治疗UC-CRC的分子机制可能是通过抑制PTGS2等关键靶点,并通过调控炎症相关通路发挥抗UC-CRC的特性。
Objective To investigate the mechanism of Astragalus membranaceus in the treatment of ulcerative colitisrelated colorectal cancer(UC-CRC)based on network pharmacology and molecular docking.Methods The main active components and targets of Astragalus membranaceus were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Disease-related targets of UC-CRC were collected from the Online Mendelian Inheritance in Man(OMIM),Therapeutic Target Database(TTD),GeneCards,and DrugBank databases.The overlapping targets of Astragalus membranaceus and UC-CRC were identified using the Venny tool.A network of"active components-disease targets-pathways"was constructed using Cytoscape 3.8.0.Molecular docking validation of key targets and active components was performed using AutoDock software.Results A total of 13 active components and 188 potential targets were screened from Astragalus membranaceus.The top five core active components were quercetin,kaempferol,formononetin,isorhamnetin,and 7-O-methylisomucronulatol,while the top five key targets were prostaglandin-endoperoxide synthase 2(PTGS2),RELA proto-oncogene(RELA),peroxisome proliferator-activated receptor gamma(PPARG),protein kinase Bα(AKT1),and PTGS1.Molecular docking results indicated strong binding affinity between the main active components and their corresponding targets.Conclusion The molecular mechanism of Astragalus membranaceus in treating UC-CRC may involve the inhibition of key targets such as PTGS2 and the regulation of inflammation-related pathways,thereby exerting anti UC-CRC effects.