Exploring the potential mechanism of Cuscuta chinensis Lam.for the intervention in type 2 diabetes mellitus based on network pharmacology and molecular docking
10.16753/j.cnki.1008-2344.2024.05.003
- VernacularTitle:基于网络药理学与分子对接技术探究菟丝子干预2型糖尿病的潜在作用机制
- Author:
Zhu WANG
1
;
Ronghua FAN
;
Li ZHOU
Author Information
1. 沈阳医学院公共卫生学院公共卫生实验教学中心,辽宁 沈阳 110034
- Keywords:
network pharmacology;
molecular docking;
Cuscuta chinensis Lam.;
type 2 diabetes mellitus
- From:
Journal of Shenyang Medical College
2024;26(5):459-464,484
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To explore the potential mechanism of Cuscuta chinensis Lam.for the intervention in type 2 diabetes mellitus based on the network pharmacology and molecular docking.Methods:From our previous study,12 kinds of plasma chemical components were collected from Cuscuta chinensis Lam.treated rats and then identified by UPLC-Q-TOF-MS/MS.The database of PubChem and Swiss Target Prediction was queried to obtain the core target of the component of dodder entering blood,and the intersection with the disease targets was taken.The intersecting targets were subjected to protein-protein interaction(PPI)network construction,GO and KEGG enrichment analysis were carried out,and the key targets and active compounds were validated by molecular docking.Results:A total of 111 potential targets for the intervention in type 2 diabetes mellitus were obtained.GO and KEGG enrichment analysis suggested that the key compounds were closely related to lipid and atherosclerosis,prostate cancer,cancer pathway and other signaling pathways in intervention of diabetes.The binding sites between the active compounds of Cuscuta chinensis Lam.(Gentiopicrin,Genistein,Daidzein)and key targets(CYP19A1,EGFR,MMP2,MMP9 and PTGS1)were verified by molecular docking.Conclusions:The active components of Gentiopicrin,Genistein and Daidzein act on the key targets of YP19A1,EGFR,MMP2,MMP9 and PTGS1,which may be important mechanisms of Cuscuta chinensis Lam.for the intervention in type 2 diabetes mellitus.The lipid and atherosclerosis,prostate cancer,cancer pathway and other signaling pathways were involved in the intervention in diabetes.These provide a theoretical foundation for the development of Cuscuta chinensis Lam.
