Bushen Huatan recipe for treatment of polycystic ovary syndrome: therapeutic mechanism based on network pharmacology and molecular docking.
10.12122/j.issn.1673-4254.2022.01.01
- Author:
Meng Ya GAO
1
;
Yan Li HONG
1
;
Mei Ting CUI
1
;
Jing Yu HUANG
1
;
Yong TAN
1
;
Xiao Wei NIE
1
Author Information
1. Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, China.
- Publication Type:Journal Article
- Keywords:
Bushen Huatan recipe;
mechanism;
molecular docking;
network pharmacology;
polycystic ovary syndrome
- MeSH:
Animals;
Drugs, Chinese Herbal/therapeutic use*;
Female;
Mice;
Mice, Inbred C57BL;
Molecular Docking Simulation;
Network Pharmacology;
Phosphatidylinositol 3-Kinases;
Polycystic Ovary Syndrome/drug therapy*
- From:
Journal of Southern Medical University
2022;42(1):1-12
- CountryChina
- Language:Chinese
-
Abstract:
OBJECTIVE:To explore the pharmacological mechanism of Bushen Huatan (BSHT) recipe in the treatment of polycystic ovary syndrome (PCOS).
METHODS:The active ingredients in the component drugs of the recipe were screened through TCMSP, and their potential targets were predicted by PubChem and Swiss target prediction. Genecards and OMIM were used to screen the therapeutic targets in the treatment of PCOS. The drug targets and disease targets were corrected using Uniprot, and the intersection targets were obtained. The protein-protein interaction (PPI) network was constructed using STRING, and the intersection targets were analyzed with CytoNCA to screen the core targets. DAVID was used for GO enrichment analysis and KEGG pathway enrichment analysis, and the core components and core targets were verified using AutoDock. Animal experiment was performed to verify the results using a female C57BL/6J mouse model of PCOS, treated daily with 1 mg/kg BSHT recipe granule for 35 days, and the ovarian expressions of the core targets and pathways were detected using Western blotting.
RESULTS:We identified a total of 125 potential active ingredients from the 14 component drugs in the recipe, 990 drug targets, 4759 PCOS targets and 434 intersection targets. The core active ingredients of the recipe included β -Sitosterol, kaempferol, and quercetin, whose core targets included PIK3CA, PIK3R1, APP, AKT1, and MAPK1. GO enrichment analysis highlighted such processes as drug reaction, negative regulation of apoptosis, and positive regulation of transcription from RNA polymerase Ⅱ promoter. The enriched KEGG pathways included primarily the cancer pathway and PI3K-Akt signaling pathway. Molecular docking showed that the core active ingredients had strong binding ability with the core targets. In the animal experiment, BSHT recipe was shown to improve the symptoms, down-regulate the expressions of PI3K and Akt proteins and up-regulate MAPK1 expression in the ovary of mice with PCOS.
CONCLUSION:The therapeutic mechanism of BSHT recipe for PCOS involves multiple active ingredients, multiple therapeutic targets and multiple pathways.
