NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (3): 468-478.doi: 10.16333/j.1001-6880.2021.3.015

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Exploring the potential mechanism of Ginkgo biloba leaves in the treatment of hypertension based on network pharmacology and molecular docking

LIU Cui-cui1,YANG Chen1,YANG Tao2,ZHU Jun-hao1,ZHUANG Yu-jin1,YAN Jun1 *,YU Neng3   

  1. 1Key Laboratory of Medicinal and Edible Plants Resources Development of Sichuan Education Department,Sichuan Industrial Institute of Antibiotics,School of Pharmacy,Chengdu University,Chengdu 610052,China; 2Chengdu Agriculture College,Chengdu 611130,China;
    3Chengdu Jingfu Pharmaceutical Technology Co.,Ltd,Chengdu 610041,China

  • Online:2021-03-28 Published:2021-04-01

Abstract:

To explore the potential mechanism of Ginkgo biloba leaves(GBL) in the treatment of hypertension through network pharmacology and molecular docking technology.First,the chemical components and corresponding targets of GBL were obtained through TCMSP,Swiss Target Prediction,Uniprot and other databases;hypertension-related targets were find by using OMIM,DrugBank and Gencards disease databases.Then,the intersection of GBL corresponding targets and hypertension-related targets were taken to get GBL effective targets for the treatment of hypertension,and the STRING database was used to perform protein interaction (PPI) network prediction on the intersection targets,and screened for the key components and hub genes.Finally,the mechanism of GBL in the treatment of hypertension was revealed by using the DAVID database to perform GO and KEGG enrichment analysis.The key components and hub genes for the treatment of hypertension were verified by molecular docking.A total of 21 active ingredients and 190 targets of GBL for the treatment of hypertension were screened.The results of PPI network analysis show that the key components of GBL for the treatment of hypertension are quercetin,kaempferol,luteolin,isorhamnetin,and chryseriol.20 hub genes including PTGS2,AKTI,EGFR,TNF,etc are found.GO and KEGG analysis results show that the targets are significantly enriched in hepatitis B,TNF signaling pathway,Toll-like receptor signaling pathway,HIF-1 pathway,MAPK signaling pathway and other pathways.The results of molecular interactions show that luteolin,chryseriol,isorhamnetin,etc.have strong affinity with PTGS2,AKTI and EFGR.The study initially reveals the potential mechanism of GBL for the treatment of hypertension with multiple components,multiple targets and multiple pathways,laying a foundation for further research on the material basis and mechanism of GBL for the treatment of hypertension.

Key words: network pharmacology, Ginkgo biloba , leaves, hypertension, target, pathway

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