基于网络药理学的柿果药理功能定位及作用机制

基于网络药理学,通过国内外文献检索获取柿果中的化合物,采用Swiss target prediction数据库对化合物进行潜在靶点垂钓以探讨柿果的药理功能定位及作用机制。以Cytoscape软件构建化合物-靶点网络,靶点-疾病名称-疾病分类网络,同时对靶点进行蛋白相互作用(PPI)网络构建,采用DAVID数据库对靶点进行通路富集分析。本研究共收集到柿果中16个化合物,可作用于68个靶点,这些靶点主要作用于心血管疾病、神经精神性疾病等。PPI网络图包含84个节点,226条边,其中degree值排前10的关键蛋白分别为ERS1、PGS2、MMP2、TIMP1、MMP9、MMP1、AR、SLC6A3、PRKCB、CYP19A1。上述靶点可调节氮素代谢、血清素能突触以及TRP通道炎症介质的调节等信号通路。本研究为阐明柿果的药理功能定位及其作用机制研究提供了可靠的依据。

Pharmacological function localization and action mechanism of persimmon fruit based on network pharmacology

To investigate the pharmacological function localization and action mechanism of persimmon fruit based on network pharmacology, compounds in persimmon fruits were obtained by searching domestic and foreign literatures. The potential targets were predicted by Swiss target prediction database. Species were screened as potential targets for human beings. Compound-target network, target-disease name-disease classification network and PPI network of target protein were constructed by Cytoscape software. Pathway enrichment analysis of target was carried out using DAVID database. A total of 16 compounds were collected from persimmon fruits, which could act on 68 targets. Disease types are mainly related to cardiovascular diseases, neuropsychiatric diseases, and other diseases. Protein-protein interaction network (PPI) network graph contains 84 nodes and 226 edges.The top 10 degree values of proteins are ERS1, PGS2, MMP2, TIMP1, MMP9, MMP1, AR, SLC6A3, PRKCB and CYP19A1. Persimmon fruits may have therapeutic effects on cardiovascular diseases, neuropsychiatric diseases by nitrogen metabolism, serotonergic synapse and inflammatory mediator regulation of TRP channel pathways. This study provides a reliable basis for elucidating the pharmacological function localization and action mechanism of action of persimmon fruits.