Exploring the molecular mechanism of Radix Astragali on colon cancer based on integrated pharmacology and molecular docking technique

Abstract

Objective: The objective of this study was to study the mechanism of Radix Astragali on colon cancer by integrated pharmacology and molecular docking technique. Methods: Integrative pharmacology-based research platform of traditional Chinese medicine (TCMIP) V2.0 was used to obtain the chemical components and corresponding targets of Radix Astragali and the target information of colon cancer to create the main target network of drugs and diseases. Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis was carried out using Hiplot website, and the interaction network of “Traditional Chinese Medicine-component-target-pathway” was established, and molecular docking with main targets was carried out for the key components. Results: Twenty-seven chemical constituents of Radix Astragali, their 254 corresponding targets, and 44 colon cancer-related targets were obtained. Through proteins interacting, 70 nodes were obtained as core targets. GO analysis showed that it mainly acts on lipid metabolism, nuclear receptor activity, phagocytic cup, etc. KEGG pathway analysis showed that it was mainly enriched in the estrogen signaling pathway, C-type lectin receptor signaling pathway, PI3K-Akt signaling pathway, etc. The multidimensional network, quantitative estimate of the drug, and molecular docking showed that the main targets are AKT1, BCL2, and CDK6, and the key components involved are kumatakenin, astragaloside VIII, and choline. Conclusion: Kumatakenin, Astragaloside VIII, Choline and other compounds of Radix Astragali may affect colon cancer by acting on AKT1, BCL2 and other targets, thereby regulating estrogen signaling pathway, C-type lectin receptor signaling pathway, PI3K-Akt signaling pathway and so on. Those will provide theoretical reference for future research on the material basis and mechanism of its pharmacodynamics.