Exploring potential targets for quercetin treatment of colorectal cancer through network pharmacology and molecular docking technology

Abstract

ObjectiveTo explore the potential targets of quercetin in the treatment of colorectal cancer through network pharmacology and molecular docking technology. MethodDownload the 3D structure of quercetin from Pubchem database, use PharmaMapper database for reverse docking, and screen protein targets based on zscore; GEO database screening for colorectal cancer datasets and screening for differentially expressed genes; Screening common genes for protein targets and differentially expressed genes using Wayne diagrams; Use DAVID database for GO and KEGG analysis. Use ChemDraw, 20.0 AutoDock, and Pymol for molecular docking. ResultThe results showed that 24 common genes and 13 signaling pathways were identified from the reverse docking data of quercetin and the GSE33113 gene chip data of colorectal cancer; Molecular docking results showed that quercetin showed good binding energy with 1ykc, 1k3y, 1kbq, 2bkz, 1xo2, 1og5, 2bsm. ConclusionQuercetin may exert its therapeutic effect on colorectal cancer through a multi target and multi channel mechanism.