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Study on mechanism of Bushen Culuan Formula in treatment of polycystic ovary syndrome based on network pharmacology and molecular docking / 中国中药杂志
China Journal of Chinese Materia Medica ; (24): 2650-2659, 2021.
Article Dans Chinois | WPRIM | ID: wpr-887935
ABSTRACT
This study used network pharmacology and molecular docking to study the mechanism of Bushen Culuan Formula in the treatment of infertility caused by polycystic ovary syndrome(PCOS). The active ingredients and potential drug targets of Bushen Cu-luan Decoction were obtained by searching the Traditional Chinese Medicine System Pharmacology(TCMSP) database, and the targets of PCOS by searching GeneCards. After the drug targets and disease targets were corrected by Uniprot, the intersection genes were obtained. STRING database and Cytoscape 3.7.2 were used for protein-protein interaction(PPI) analysis of the intersection genes. The ClueGO plug-in of Cytoscape 3.7.2 was employed to perform gene ontology(GO) enrichment and KEGG pathway enrichment for the intersection genes. Finally, molecular docking of the key active ingredients with the targets of Bushen Culuan Formula was performed using AutoDockVina and MGLtools. A total of 136 active ingredients and 314 drug targets of the decoction were obtained from TCMSP, and 136 disease targets from GeneCards. Finally, 49 drug-disease intersection genes were obtained. GO enrichment found that the genes were mainly involved in the regulation of muscle cell apoptosis, positive regulation of small molecule metabolism, core promoter binding, RNA polymeraseregulation of pri-miRNA transcription, negative regulation of transmembrane transport and other biological functions. The enriched KEGG pathways mainly included MAPK, PI3 K-Akt, p53, and HIF-1 signaling pathways. The results of molecular docking showed that quercetin and PTGS2 can bind stably and interact through amino acid residues THR206, TRP387, ASN382, etc. This study preliminarily reveals the multi-component, multi-target, and multi-pathway mechanism of Bushen Culuan Formula in the treatment of PCOS-related infertility, which provides a basis for further research.
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Texte intégral: Disponible Indice: WPRIM (Pacifique occidental) Sujet Principal: Syndrome des ovaires polykystiques / Médicaments issus de plantes chinoises / Transduction du signal / Simulation de docking moléculaire / Gene Ontology / Médecine traditionnelle chinoise Type d'étude: Etude diagnostique Limites du sujet: Femelle / Humains langue: Chinois Texte intégral: China Journal of Chinese Materia Medica Année: 2021 Type: Article

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Texte intégral: Disponible Indice: WPRIM (Pacifique occidental) Sujet Principal: Syndrome des ovaires polykystiques / Médicaments issus de plantes chinoises / Transduction du signal / Simulation de docking moléculaire / Gene Ontology / Médecine traditionnelle chinoise Type d'étude: Etude diagnostique Limites du sujet: Femelle / Humains langue: Chinois Texte intégral: China Journal of Chinese Materia Medica Année: 2021 Type: Article