Exploring the Mechanism of Action of Glyasperin A in Intervening Menopause Based on Network Pharmacology and Molecular Docking Technology  

作　　者：Na LI Shunhuan CHEN Xiang PU Yihui CHAI Yuqi YANG Lailai LI 

机构地区：[1]Guizhou University of Traditional Chinese Medicine,Guiyang 550025,China

出　　处：《Medicinal Plant》2024年第3期4-8,共5页药用植物：英文版

基　　金：Supported by Project of Science and Technology Department of Guizhou Province ([2019]1401);Guizhou Administration of Traditional Chinese Medicine (QZYY-2021-03);Guizhou Provincial Health Commission (gzwkj2021-464).

摘　　要：[Objectives]To investigate the mechanism of action of glyasperin A(GAA)in intervening menopause using network pharmacology and molecular docking technology.[Methods]All target names of the active ingredients were screened using TCMSP,3D model molecules converted into SMILES online tool,Swiss target prediction and literature search.The relevant target genes corresponding to menopause were identified using the Genecards database.Venn 2.1.0 was then used to generate the corresponding Venn diagram.Finally,the protein-protein interaction(PPI)network was constructed using Cytoscape 3.9.1 software.The core targets that were screened underwent enrichment and analysis using the Gene Ontology(GO)biological process and KEGG pathways with the assistance of the DAVID database and bioinformatics.The molecular docking was then verified using AutoDock and Pymol software on the core targets.[Results]This study screened 100 target genes of active ingredients.In the PPI network,ESR1 and AKT1 were found to have a higher degree.The GO and KEGG enrichment analyses revealed that the biological processes primarily involved platelet activation,regulation of circadian rhythms,and regulation of mRNA stability.The signalling pathways included hepatitis B,cytotoxicity,and gastric cancer.The molecular docking results indicated that the key active ingredients and proteins bound well,as evidenced by their small binding energies.[Conclusions]Using a systematic network pharmacology approach,this study predicts the basic pharmacological effects and potential mechanisms of GAA in intervening menopause,which provides a foundation for further research on its pharmacological mechanisms.

关 键 词：NETWORK PHARMACOLOGY MOLECULAR DOCKING MENOPAUSE Glyasperin A 

分 类 号：R285[医药卫生—中药学]