Exploration on mechanism of Weimaining in treatment of LUAD based on network pharmacology and molecular docking
10.3969/j.issn.1001-1978.2021.03.023
- Author:
Wei HU
1
;
Jiao-Yang TAO
1
;
Ze-Jun MO
1
;
Yao-Huang LIN
1
;
Jiao LIANG
1
;
Jia-Kai LI
1
Author Information
1. The Second Affiliated Hospital of Zhejiang University Medical College, Pharmacy Dept
- Publication Type:Journal Article
- Keywords:
lung adenocarcinoma;
molecular docking;
net¬work pharmacology;
pharmacological mechanism;
signaling pathway;
Weimaining
- From:
Chinese Pharmacological Bulletin
2021;37(3):430-436
- CountryChina
- Language:Chinese
-
Abstract:
Aim To investigate the pharmacological mechanism of Weimaining in the treatment of lung ade¬nocarcinoma ( LUAD) , using a network pharmacology and molecular docking approach. Methods The active components and potential targets of Weimanin ( Rhizo- ma Fagopyri Cymosi) were screened out through TCM- SP, TCMID, BATMAN-TCM and ETCM data plat-form, and supplemented with literature. The gene ex¬pression data of LUAD were obtained from the Gen Ex¬pression Omnibus database(GEO) , and the differenti¬ally expressed genes were determined using R software. A protein-protein interaction( PPI) network of intersec¬tion targets was constructed by STRING and visualized by Cytoscape software, and GO functional annotation and KEGG pathway enrichment analysis were per¬formed by Metascape platform. Finally, molecular doc¬king studies were carried out to verify the binding of core components and targets. Results Selecting the OB and DL as filter condition, 16 active ingredients and 353 potential targets were involved. MMP-9, MMP-1, CAT and other targets were closely related to LUAD. The KEGG analysis showed that target genes were enriched in several key cancer-related signaling pathways, including the Fluid shear stress and athero¬sclerosis, Pathways in cancer, AGE-RAGE signaling pathway, p53 signaling pathway, etc. Conclusions The present study investigates the main active compo¬nents, targets and related pathways of Weimaining in the treatment of LUAD, which provides the theoretical basis and ideas for further research.
