Exploration on Anti-Depression Mechanism of Baihe Zhimu Decoction Based on Network Pharmacology and Molecular Docking.

ABSTRACT

OBJECTIVE: To analyze anti-depression mechanism of Baihe Zhimu decoction (BZD) based on network pharmacology method, which provides reference for the development of new drugs and the clinical application of classical prescriptions. METHOD: The main chemical components and targets of Baihe and Zhimu were obtained through traditional Chinese medicine pharmacology system technology platform (TCMSP) database, and the active components of TCM were filtered according to ADME; Major targets for anti-depression were get through Gencards, OMIM and DRUGBANK databases; Protein interaction analysis was performed using the String platform; Build PPI networks and mine potential protein functional modules in the network; The Metascape platform was used to analyze the "drug-ingredients-target" and its involved biological processes and pathways; Finally, the molecular docking validation was performed by Systems Dock Web Site. RESULTS: The core active ingredients of BZD treating depression are kaempferol and Stigmasterol, The core targets are AKT1, TNF, TP53, PTGS2, and CASP3. The biological pathway of the anti-depression mainly acts on Lipid and atherosclerosis, Chemical carcinogenesis and receptor activation. Molecular docking results showed that AKT1, TNF and TP53 have good affinity with components kaempferol and Stigmasterol. CONCLUSION: This study initially revealed the mechanism of multicomponent, multiple target and multiple pathway of anti-depression, which may be related to neuroactive ligand-receptor interaction, atherosclerotic, PI3K-Akt and TNF signaling pathway.