Network Pharmacology and Molecular Docking Analyses of Mechanisms Underlying Effects of the Cyperi Rhizoma-Chuanxiong Rhizoma Herb Pair on Depression.

ABSTRACT:

Objective

We aimed to investigate the mechanisms underlying the effects of the Cyperi Rhizoma-Chuanxiong Rhizoma herb pair (CCHP) against depression using a network pharmacology approach.

Methods

A network pharmacology approach, including screening of active compounds, target prediction, construction of a protein-protein interaction (PPI) network, gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses, and molecular docking, molecular dynamics (MD) simulations, and molecular mechanics Poisson-Boltzmann surface area (MMPBSA), were used to explore the mechanisms of CCHP against depression.

Results

Twenty-six active compounds and 315 and 207 targets of CCHP and depression, respectively, were identified. The PPI net

SUBMITTER: Shi Y 

PROVIDER: S-EPMC8716227 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature