摘要
目的:探讨中药调控胞葬作用的物质基础及用药规律。方法:首先从GeneCards数据库中获取胞葬作用相关靶点,其次在TCMSP数据库中以口服生物利用度≥30%、类药性≥18%为条件,筛选出作用于胞葬作用相关靶点的活性成分并匹配出相应的中药,然后再利用Autodock Vina软件进行分子对接以验证预测中药活性成分与胞葬作用相关靶点之间相互作用关系的科学性和可信性,同时利用Cytoscape软件构建活性成分-靶点网络、表型-靶点-成分-中药网络,最后检索收集中药的性味归经信息,统计分析其出现的频次和频率,对中药的用药规律进行分析。结果:检索到73个与胞葬作用相关的靶点,其中14个靶点可匹配活性成分,获得24个活性成分共关联368味中药。分子对接结果显示,39对“活性成分-作用靶点”关系对的结合自由能均小于-5 kcal/mol。频次频率统计结果显示,与胞葬作用相关的中药大都归肝经、肺经,药味多为苦、辛且药性以寒温为主。结论:本研究发现与调控胞葬作用相关的中药大多归肝经、肺经,性味多为寒、温、苦、辛,中药活性成分多属于黄酮类化合物、生物碱和萜类化合物,这在一定程度上可为中医临床遣方用药治疗胞葬作用功能障碍相关疾病以及进一步开展探索性实验研究提供借鉴与思路。
Objective:To explore the material basis and medication law of Chinese herbs in regulating efferocytosis.Methods:Firstly,the target of efferocytosis was obtained from GeneCards database;Secondly,the active ingredients and traditional Chinese medicines that acted on efferocytosis related targets were screened under the conditions of oral bioavailability≥30%and drug-like property≥18%,in TCMSP database.The molecular docking was carried out by using Autodock Vina software to verify the scientificity and credibility of the prediction results.At the same time,Cytoscape software was used to construct active ingredient-target network and phenotype-target-ingredient-Chinese herb network.Finally,the information of the property and flavor of Chinese herbs was retrieved and collected.The frequency of its occurrence were statistically analyzed,and then the medication law of Chinese herbs was analyzed.Results:24 active ingredients were obtained and 368 kinds of Chinese herbs were associated.Molecular docking results showed that the binding free energies of 39 pairs of"active ingredient-target"relation pairs were all less than-5 kcal/mol.The results of frequency statistics showed that Chinese herbs related to efferocytosis were mostly cold or warm in property,bitter or acrid in taste,distributed to liver or lung meridians.Conclusion:This study found that most of Chinese herbs related to efferocytosis belonged to the liver or lung meridians,and were cold or warm in property,bitter or acrid in taste.Most of the active ingredients of Chinese herbs belonged to flavonoids,alkaloids and terpenoids.To some extent,it can provide reference and ideas for Chinese herbs clinical prescription to treat the diseases related to efferocytosis dysfunction and further exploratory experimental research.
作者
王建茹
李彬
王新陆
彭广操
赵齐飞
于瑞
王永霞
朱明军
WANG Jian-ru;LI Bin;WANG Xin-lu;PENG Guang-cao;ZHAO Qi-fei;YU Rui;WANG Yong-xia;ZHU Ming-jun(The First Affiliated Hospital of Henan University of CM,Zhengzhou 450000,China)
出处
《中国中医基础医学杂志》
CAS
CSCD
北大核心
2021年第10期1649-1656,共8页
JOURNAL OF BASIC CHINESE MEDICINE
基金
国家重点研发计划“中医药现代化研究”重点专项(2019YFC1710003)-中部地区县域心脑血管疾病中医防控模式研究及示范基地建设
国家自然科学基金资助项目(82004311)-黄连解毒汤通过活化ERK5促进巨噬细胞LC3相关吞噬作用(LAP)抗动脉粥样硬化的作用机制研究
河南省科技攻关项目(202102310492)-通脉养心丸通过抑制铁死亡保护心肌缺血再灌注损伤的研究
河南省中医药科学研究专项课题(2019JDZX2013)-基于SIRT1信号通路探讨通脉养心丸延缓心梗后心室重构的机制研究
河南省中医药科学研究专项课题(20-21ZY2187)-基于SIRT1/TGF-β1/Smad3通路探讨通脉心丸改善心梗后心室重构的机制研究
中原院士基金-中原名医。
关键词
胞葬作用
网络药理学
分子对接
数据挖掘
中药
Efferocytosis
Network pharmacology
Molecular docking
Data mining
Chinese herbs
