Preliminary exploration of the effect and mechanism of verbascoside against acute lung injury by network pharmacology and molecular docking
10.11855/j.issn.0577-7402.1023.2024.0204
- VernacularTitle:网络药理学及分子对接初步探讨毛蕊花糖苷抗急性肺损伤的作用及其机制
- Author:
Hao YIN
1
;
Tong-Tong GAO
;
Yi LEI
;
Wen-Yan QIN
;
Jun-Bai FAN
Author Information
1. 山西医科大学麻醉学院,山西 太原 030001
- Keywords:
acteoside;
acute lung injury;
network pharmacology;
molecular docking;
molecular mechanism
- From:
Medical Journal of Chinese People's Liberation Army
2024;49(10):1174-1183
- CountryChina
- Language:Chinese
-
Abstract:
Objective To investigate the molecular mechanism of verbascoside against acute lung injury(ALI)by network pharmacology and molecular docking methods,and to validate the findings experimentally.Methods The 2D structure of verbascoside was obtained from the Pubchem database.Active ingredient targets of verbascoside were acquired from Pharmmapper database and Swiss Target Prediction database.Active component targets of ALI were acquired from datebase such as Gene Cards,OMIM,and DisGeNET.Common targets between verbascoside and ALI were determined by overlapping these sets.PPI network for potential targets was constructed using String database and Cytoscape software.The intersection targets were imported into the DAVID database for enrichment analysis of GO biological processes,KEGG signaling pathway and the pathway target genes.Molecular docking between verbascoside and core targets was performed using Autodock vina software.The mRNA expression level of core genes was validated using real-time quantitative PCR(RT-qPCR),and the expression of related proteins was detected using Western blotting.Results A total of 150 target genes of verbascoside against ALI were screened,and the key targets of verbascoside against ALI mainly involve pathways such as Rap1 signaling pathway,PI3K-Akt signaling pathway and MAPK signaling pathway.Verbascoside docked well with the core target molecules.RT-qPCR results showed that,compared with the control group,the mRNA expression levels of HSP90AA1,ALB,TP53,TNF,INS,and HRAS were significantly decreased in cells after the effect of verbascoside(P<0.05);Western blotting indicated that,compared with the model group,verbascoside treatment significantly reduced the expression of p-Akt,p-p38,and p-ERK proteins(P<0.05).Conclusion Verbascoside could inhibit MAPK,Rap1 and PI3K/Akt signaling pathways to exert its anti-ALI effects.
