The Exploration of the Mechanism of Qiwei Baizhu San in the Treatment of Type 2 Diabetes Based on Network Pharmacology Integrating Macromolecular Docking.

Objective To explore the target and mechanism of Qiwei Baizhu San in the treatment of type 2 diabetes based on network pharmacology integrating macromolecular docking. Methods The active ingredient and their corresponding action targets of Qiwei Baizhu San were obtained from TCMSP database, and the target genes of type 2 diabetes were obtained from Genecards and OMIM database. The intersection of the two was taken to obtain the action targets of the active ingredients of Qiwei Baizhu San in the treatment of T2DM. Cytoscape 3.9.1 was used to analyze the target PPI and draw a "drug-component-common target" network diagram to screen the core components; conduct Reactome, Wiki, KEGG Pathways analysis on the target using STRING database, and conduct GO analysis on Metascape; use Autodock and PyMol software for Macromolecular docking and visualization. Result Qiwei Baizhu San has a total of 57 active ingredients and 202 intersection targets with T2DM. Key targets mainly include AKT1, TP53, HSP90AA1, MAPK1, etc., which are mainly enriched in PI3K-Akt, MAPK, interleukin and other pathways. Macromolecular docking results show that key core components have good binding with core targets. Conclusion Qiwei Baizhu San can act on AKT1, MAPK1 and other targets to treat type 2 diabetes through active ingredients such as quercetin, kaempferol, luteolin, and formononetin, and play a multi-target and multi-pathway therapeutic role.