期刊论文

Medication Rules of Chinese Materia Medica for Regulating Pyroptosis Based on Network Pharmacology and Data Mining

中文

中国中医药信息杂志

1005-5304

2021

28

11

27-33

10.19879/j.cnki.1005-5304.202101562

湖南省教育厅科学研究项目（19C1419、20C1423）； 湖南省中医药科研计划项目（202101）； 湖南省研究生科研创新项目（2020CX88）；

本校为第一机构

目的探索中药干预细胞焦亡的物质基础和用药规律,为相关研究提供参考。方法通过GeneCards、 DrugBank、CTD、GenCLip 3数据库获取细胞焦亡的相关靶点,通过中药系统药理学数据库与分析平台(TCMSP)获取类药性≥0.18的靶点相关化合物及中药。利用R软件对潜在靶点进行相关机制分析。构建靶点-化合物、靶点-化合物-中药网络,分析靶点、化合物及中药的关联性,通过分子对接验证部分靶点-化合物的结合能力,借助中医传承辅助平台分析候选中药的性味归经。结果获得细胞焦亡相关靶点139个,其中可匹配到化合物的潜在靶点31个,获得候选化合物101个,候选中药373种。靶点与化合物的分子对接结果较好,相关中药以...

Objective To explore the material basis and medication rules of Chinese materia medica intervention in pyroptosis; To provide reference for related research. Methods Relevant targets of pyroptosis were obtained through GeneCards, DrugBank, CTD and GenCLip 3 databases, and target-related compounds and Chinese materia medica with drug likeness ≥0.18 were obtained through TCMSP. R software was used to analyze the relevant mechanism of potential targets. Target- compound network and target-compound-Chinese materia medica network were constructed t...