首页|中药调节肠道菌群的物质基础及用药规律研究

中药调节肠道菌群的物质基础及用药规律研究

Material Basis and Medication Rule of Traditional Chinese Medicine for Regulating Gut Microbiota

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目的:通过网络药理学联合数据挖掘的方法探讨中药调节肠道菌群的物质基础和用药规律.方法:通过人类基因数据库(GeneCards)获取肠道菌群相关作用靶点,以口服生物利用度(OB)≥30%、类药性(DL)≥0.18 为筛选条件在中药系统药理学分析平台(TCMSP)数据库中筛选出靶点相关活性成分及中药.利用Cytoscape 3.8.1软件构建靶点-活性成分、靶点-活性成分-中药复合网络,再使用中医传承计算平台 V3.0分析中药的性味归经及用药规律.最后将肠道菌群相关核心靶点与中药核心活性成分进行分子对接.结果:共筛选得到肠道菌群相关作用靶点 115个,其中与活性成分相匹配的靶点 67 个,根据度值筛选得到 31 个肠道菌群相关作用核心靶点、154个关键活性成分以及关联中药 390种.与肠道菌群作用相关的中药药味以苦、辛、甘为主,药性以寒、温、平居多,归经多归于肝、肺、胃、脾经.分子对接结果表明,核心靶点与核心化合物之间具有较好的结合性.结论:通过较为系统地探索中药调节肠道菌群的物质基础及用药规律,可为中药调节肠道菌群的理论探讨、临床及实验研究提供相应参考.
Objective:To explore the material basis and medication rule of traditional Chinese medicine(TCM)for regulating gut microbiota through network pharmacology combined with data mining.Methods:The relevant action targets of gut microbiota were obtained through GeneCards database,and the active components and traditional Chinese medicines related to the targets were screened out in Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)database with oral bioavailability(OB)≥30%and drug likeness(DL)≥0.18 as screening conditions.The target-active ingredient,target-active ingredient-traditional Chinese medicine composite network was constructed by Cytoscape 3.8.1 software,and then the traditional Chinese medicine inheritance computing platform V3.0 was used to analyze the tropism and medication rules of traditional Chinese medicine.Finally,the relevant core targets of gut microbiota and the core active ingredients of traditional Chinese medicine were molecularly docked.Results:A total of 115 targets related to gut microbiota were screened,including 67 targets matched with active ingredients.According to the degree value,31 core targets related to gut microbiota,154 key active ingredients and 390 related Chinese medicines were screened.Traditional Chinese medicines related to gut microbiota were mainly bitter,pungent,and sweet in taste,cold,warm,and flat in properties,and channel tropism was mostly attributed to liver,lung,stomach,and spleen channels.The results of molecular docking showed that there was a better binding between core targets and core compounds.Conclusion:Systematical exploration of the material basis and medication rule of Chinese medicine regulating gut microbiota can provide corresponding reference for theoretical discussion,clinical and experimental research of Chinese medicine for regulating gut microbiota.

gut microbiotatraditional Chinese medicinenetwork pharmacologydata miningmedication rule

袁一顺、刘中勇、刘言薇、黄浪浪

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江西中医药大学(南昌 330004)

江西中医药大学附属医院(南昌 330006)

肠道菌群 中药 网络药理学 数据挖掘 用药规律

国家自然科学基金国家自然科学基金全国名老中医专家传承工作室建设项目

8196084982260918国中药人教函[2022]7号

2024

中西医结合心脑血管病杂志
中国中西医结合学会 山西医科大学第一医院

中西医结合心脑血管病杂志

CSTPCD
影响因子:1.463
ISSN:1672-1349
年,卷(期):2024.22(16)