基于网络药理学与分子对接分析王百合苷干预抑郁症分子机制OA

In order to investigate molecular mechanisms of Cardiocrinum giganteum in dpression intervention,taking C.giganteum bulbs as material basis and Regaloside A,Regaloside B and Regaloside F as ligands,C.gi-ganteum active compound targets and related targets with depression and neurodegenerative diseases were screened from databases.Mutual targets were obtained by intersection operation between gene set for active compound targets and gene set for disease related targets.Protein-protein interaction(PPI)network was con-structed to screen core targets by evaluation of topological characteristics.Gene Ontology(GO)function annota-tion and KEGG pathway enrichment analysis were performed.Molecular docking was employed to verify bind-ing activities among active compounds and core targets.Results showed that a total of 94 mutual targets were obtained.ALB,SRC,CASP3,TLR4,MAPK14 and HSP90AA1 were core targets.Pharmacological effects of C.giganteum active compounds primarily involved regulation of stress responses,maintenance of neuronal homeo-stasis,serotoninergic synapses,MAPK signaling pathway and apoptosis pathway.Regalosides A,B and F exhib-ited strong binding activities with proteins of MAPK14,CASP3 and HSP90AA1.C.giganteum exerted synergis-tic anti-depressant effects through multi-active compounds,multi-targets and multi-pathways,with mecha-nism might closely relating to modulating neurotransmission,suppressing inflammation and inhibiting neuronal apoptosis.