基于网络药理学及分子对接研究黄芪-白花蛇舌草药对治疗肾纤维化的作用机制OA

Objective:Based on network pharmacology and molecular docking,this investigation aims to analyze the important targets,pharmacological functions,and mechanisms of Huang Qi(Radix Astragali seu Hedysari)-Baihua She She Cao(Herba Hedyotis Diffusae)in the management of renal fibrosis(RF).Methods:Through network pharmacology methods,the TCMSP online analysis platform was used to obtain the active componts and targets of Huang Qi-Baihua She She Cao.The online database GeneCards was utilized to obtain RF related genes.The Venny 2.1.0 software was employed to acquire the intersection targets between the disease and the drugs.The intersecting targets were next introduced into the DAVID database to conduct GO and KEGG enrichment analyses.The STRING database was harnessed to build the protein-protein interaction target network,while the Cytoscape 3.10.0 software was employed for constructing the drug-ingredient-target network diagram.The top ten targets were screened out as the important targets of Huang Qi-Baihua She She Cao in treating RF.The molecular docking verification was carried out by importing the core active components and crucial targets into the online data platform CB-Dock2,and the PyMOL 2.6 software was employed to visualize the molecular docking.Results:A grand total of 17 chemical components and 406 targets were screened out.The important targets included SRC,AKT1,PIK3CA,etc.Through GO analysis,444 biological processes were screened out,mainly involving the positive regulation of PI3K-Akt signal transduction and the regulation of the development of multicellular organisms.There were 59 cellular components and 128 molecular functions.Through KEGG analysis,159 pathways were screened out.The main signaling pathways of Huang Qi-Baihua She She Cao in treating RF were MAPK signaling pathway,PI3K-Akt signaling pathway,TNF signaling pathway,etc.The pharmacological basis and mechanism of Huang Qi-Baihua She She Cao in treating RF were studied through pharmacological methods,and molecular docking technology was employed to validate the affinity between the core targets and core components.Among them,Jaranol,isorhamnetin,isoflavanone,and quercetin had good affinities with PIK3CA.Conclusion:Huang Qi-Baihua She She Cao couplet medicinals treats RF by regulating the development of multicellular organisms,anti-inflammation,anti-oxidation,and insulin secretion.Its pharmacological effects are marked by multi-target,multi-component,and multi-pathway properties,thus providing new insights into the treatment of RF.