柯伊利素抗胰腺癌作用机制的网络药理学研究

Network pharmacological study on mechanism of chrysoeriol's anti-pancreatic cancer effects

目的运用网络药理学探讨柯伊利素抗胰腺癌作用机制。方法在GeneCard、DisGeNET数据库获取胰腺癌的作用靶点,在Swiss Target Prediction数据库获取柯伊利素的人类靶点,利用韦恩图获取药物—疾病共同靶点,利用DAVID数据库进行富集分析,将共同靶点导入Cytoscape 3.10.2软件STRING APP获取关键靶点,并构建柯伊利素—胰腺癌网络图,利用AutoDock vina 1.1.2做关键靶点与柯伊利素分子对接,利用Kaplan-Meier Plotter在线数据库绘制关键靶点KM曲线。结果最终获取柯伊利素—胰腺癌共同靶点62个,其中PTGS2、EGFR等10个靶点为关键活性靶点,富集分析结果富集了包括RAS信号通路、PI3K-Akt信号通路、内分泌抵抗等,药物靶点分子对接热能良好,关键靶点PTGS2、EGFR低表达对胰腺癌生存具有获益。结论柯伊利素具有潜在抗胰腺癌作用,其机制可能通过多靶点、多途径发挥抗胰腺癌作用。

Objective To explore the mechanism of anti-pancreatic cancer action of chrysoeriol by using network pharmacology.Methods We obtained the targets of pancreatic cancer from GeneCard and DisGeNET databases;obtained the human targets of Chrysoeriol from Swiss Target Prediction database;obtained the drug-disease common targets by using Venn diagram;enrichment analysis was carried out by using DAVID database;and the common targets were imported into Cytoscape 3.10.2 software.VSTRING APP was used to obtain key targets,Cytoscape 3.10.2 software was used to construct a Chrysoeriol-pancreatic cancer network diagram;AutoDock vina 1.1.2 was used to perform molecular docking between key targets and chrysoeriol,and the Kaplan-Meier Plotter online database was used to draw a KM curve for key targets.Results Finally,62 common targets of Chrysoeriol-pancreatic cancer were obtained,among which 10 targets such as PTGS2 and EGFR were the key active targets.The enrichment analysis results enriched signaling pathways including RAS signal pathway,PI3K-Akt signal pathway,and endocrine resistance;the molecular docking of drug targets had good thermal performance,and the low expression of key targets PTGS2 and EGFR had a good impact on pancreatic cancer survival with benefit.Conclusions Chrysoeriol has potential anti-pancreatic cancer effects,and its mechanism may exert anti-pancreatic cancer effects through multi-targets and multi-pathways.