基于网络药理学的苦丁茶主要活性成分及药理作用机制分析

Analysis of Main Active Components and Pharmacological Mechanism of Ilex Kudingcha C. J. Tsing Based on Network Pharmacology

[目的]通过系统药理学方法预测苦丁茶的活性成分、作用靶点及相关疾病。[方法]利用系统药理学方法,构建苦丁茶分子数据库,以口服生物利用度和类药性作为评估标准选出苦丁茶的活性成分,通过预测活性成分的作用靶点构建活性成分-靶点-疾病网络,结合基因本体(GO)和生物通路(pathway)功能富集分析,研究苦丁茶作用机制。[结果]筛选苦丁茶活性分子13个,进一步通过网络分析筛选,得到9个主要活性成分,这些成分可作用于靶点182个,可用于治疗肿瘤、心脑血管疾病、炎症和微生物感染等266种疾病,发挥药效作用的关联通路有6条。[结论]该研究通过采用系统药理学方法对苦丁茶进行活性成分筛选和靶点预测,构建了活性成分-靶点-疾病网络图,系统地分析了药物、靶点、疾病之间的联系,为进一步深入研究苦丁茶的作用机制提供了精确的靶点基础。

[Objective] The research aimed to predict the active ingredients, targets and effects of disease of Ilex Kudingcha based on systematic pharmacology method.[Method]Through making use of systematic pharmacology method and building the molecule database of Ilex Kudingcha , and making oral bioavailability and drug-likeness used as assessment criteria to detect the active ingredients. The targets of active ingredients of Ilex Kudingcha were predicted and used to construct the molecule-target-disease network.[Result] 13 active ingredients were screened, with 9 candidate compounds and 182 targets, these targets were associated with 266 kinds of diseases related to tumor, cardiovascular disease, inflammation, and microbiological contamination, etc. There were 6 significant pathways for therapeutic effect of the drugs. [Conclusion] In this study, the active ingredients and targets of Ilex Kudingcha are screened and predicted by systems pharmacology, molecule-target-disease network diagram is constructed and the interrelationship among drugs, targets and diseases is systematically analyzed, which provides a precise target basis for further study on the mechanism of the Ilex Kudingcha .