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

Abstract

Objective: To explore the potential targets of quercetin in the treatment of colorectal cancer through network pharmacology and molecular docking technology. Method: Download 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. Result: The 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. Conclusion: Quercetin may exert its therapeutic effect on colorectal cancer through a multi target and multi channel mechanism.