Exploring themechanism of Lilium Brownii in treating depressive disorder based on network pharmacology and molecular docking techniques
Objective To investigate the active components and mechanism of Lilium Brownii in treating depressive disorder using network pharmacology and molecular docking technology.Methods The active components and drug targets of Lilium Brownii were identified through comprehensive screenings of the TCMSP,ETCM,BATMAN-TCM,and SymMap databases,and the Genecards database was utilized to predict the disease targets of depressive disorder.Thereby,the intersection of the drug targets and the disease targets was extracted.Then,the protein-protein interaction network of potential targets was constructed using the STRING database,and key targets and active components were retrieved using Cytoscape software.The key targets underwent KEGG and GO enrichment analyses utilizing the DAVID database.Finally,molecular docking was undertaken to verify the interactions between key targets and active components.Results A total of six active components and 52 key targets of Lilium Brownii related to depressive disorder were identified from the four databases.Molecular docking results demonstrated that compounds like stigmasterol,β-Sitosterol,brownioside,26-O-β-D-glucopyranosyl-3β,26-dihydroxy-cholestan-16,and 22-dioxo-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside formed stable conformations with key targets such as ESR1,CYP1A1,JUN,and CYP3A4 by hydrogen bonding,electrostatic forces,and van der Waals force.The GO enrichment analysis revealed that the primary functions associated with the key targets included SRP-dependent cotranslational protein targeting the membrane,the cytosolic small ribosomal subunit,and the tumor necrosis factor-mediated signaling pathway regulation.The KEGG enrichment analysis indicated that the identified active components and key targets chiefly involved in modulating apoptosis and pathways related to RIG-Ⅰ-like receptor signaling,NOD-like receptor signaling,adipocytokine signaling,and the NF-κB signaling cascade,contributing to the therapeutic efficacy in depressive disorder.Conclusion Lilium Brownii exerts its effects in treating depressive disorder through a multi-component,multi-target,and multi-pathway regulatory mechanism.This study provides a theoretical framework for further experimental investigations into the antidepressant mechanisms of Lilium Brownii.
万方数据
维普
