Mechanism of action of Xiaoyan Lidan tablets in treatment of chronic cholecystitis:A study based on network pharmacology and molecular docking
Objective:To investigate the core effective constituents and targets of Xiaoyan Lidan tablets in the treatment of chronic cholecystitis based on network pharmacology,as well as the robustness of results based on molecular docking.Methods:TCMSP,CancerHSP,and BATMAN-TCM databases were searched to obtain the effec-tive constituents of Xiaoyan Lidan tablets and their corresponding targets,and UniProt database was used for the standardization of targets.GeneCards,DisGeNET,and OMIM databases were used to search for the targets associated with chronic cholecystitis.R software was used to obtain the intersecting targets of the drug and the disease,and Bio-conductor platform and STRING database were used to perform the enrichment analysis and protein-protein interac-tion analysis of the intersecting targets.Cytoscape software was used to obtain the core effective constituents and tar-gets,and molecular docking was performed for the core effective constituents and targets to evaluate binding activity and validate the robustness of results.Results:A total of 23 effective constituents and 190 corresponding action tar-gets were obtained,and 723 disease-related targets were obtained from databases.There were 48 intersecting targets between the drug and the disease.The enrichment analysis showed that the targets were mainly associated with cell response to inflammation,and core effective constituents were obtained,including quercetin,wogonin,and fisetin,as well as the core targets including interleukin-1 β(IL-1β),matrix metalloproteinase-9(MMP9),and vascular en-dothelial growth factor A(VEGFA).Molecular docking showed good binding activity between the core effective constituents and the core targets.Conclusion:The core effective constituents of Xiaoyan Lidan tablets,including quercetin,wogonin,and fisetin,exert a therapeutic effect on chronic cholecystitis by regulating inflammation-related signaling pathways to act on the core targets such as IL-1β,MMP9,and VEGFA.
NETL
NSTL
万方数据
