Mechanism of TongGuan Pill in the Treatment of Benign Prostatic Hyperplasia based on Network Pharmacology and Molecular Docking
GENG Qiang,SUN Yuan,ZHAO Yu
Abstract:
Objective To explore the molecular mechanism of TongGuan pill (TGP) in the treatment of benign prostatic hyperplasia (BPH) based on network pharmacology and molecular docking. Methods The drug components of TGP were obtained from TCMSP, BATMAN-TCM and ETCM. The ADME of medicine components were screened by Swiss Target Prediction. The targets of TGP were obtained from Swiss Target Prediction.DisGeNET,GenecardsandOMIM were applied to screen the targets of BPH. The targets of TGP therapy for BPH were obtained from venny 2.1. A protein-protein interaction (PPI) network was constructed by String and Cytoscape software. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were carried out by Metascape. The“component-target-pathway” network was established by Cytoscapesoftware.Molecular docking was carried out with PubChem, PDB, PyMoL and AutoDock software. Results It was found that 27 active components in TGP acted on 88 disease targets to treat BPH through multiple pathways. The core components include Quercetin,ObacunoicAcid,KihadalactoneA,Hispidone and Melianone. The core targets include AKT1, MAPK1, PIK3CA, PIK3CB, PIK3CD, EGFR and MAPK14. GO enrichment analyses found that biological processes mainly including blood circulation, positive regulation of transferase activity, cellular response to nitrogen compound.The cellular component mainly included membrane raft, transferase complex, glutamatergic
