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[Action mechanism of Huotu Jiji Pellets in the treatment of erectile dysfunction: An exploration based on network pharmacology and molecular docking].
Chen, Xue-Qin; Zhou, Xuan; Shen, Hong-Ping; Song, Jia-Yi; Chen, Yun-Jie; Zhang, Yuan-Bin; Cai, Yi-Li; Yu, Yi; Liu, Ya-Hua.
Afiliação
  • Chen XQ; Center of Traditional Medicine, The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Zhou X; Clinical Drug Trial Institution, The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Shen HP; Center of Traditional Medicine, The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Song JY; Center of Reproductive Medicine,The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Chen YJ; Department of Pharmacy, The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Zhang YB; Department of Pharmacy, The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Cai YL; Center of Traditional Medicine, The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Yu Y; Center of Reproductive Medicine,The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
  • Liu YH; Center of Reproductive Medicine,The First Affiliated Hospital of Ningbo University, Ningbo, Zhejiang 315000, China.
Zhonghua Nan Ke Xue ; 30(3): 241-248, 2024 Mar.
Article em Zh | MEDLINE | ID: mdl-39177391
ABSTRACT

OBJECTIVE:

To explore the potential action mechanism of Huotu Jiji Pellets (HJP) in the treatment of erectile dysfunction (ED) based on network pharmacology and molecular docking.

METHODS:

We identified the main effective compounds and active molecular targets of HJP from the database of Traditional Chinese Medicine Systems Pharmacology (TCMSP) and Integrative Pharmacology-Based Research Platform of Traditional Chinese Medicine (TCMIP) and the therapeutic target genes of ED from the databases of Genecards. Then we obtained the common targets of HJP and ED using the Venny software, constructed a protein-protein interaction (PPI) network of HJP acting on ED, and screened out the core targets with the Cytoscape software. Lastly we performed GO functional enrichment and KEGG pathway enrichment analyses of the core targets followed by molecular docking of HJP and the core targets using Chem3D and AutoDock Tools and QuickVina-W software.

RESULTS:

A total of 64 effective compounds, 822 drug-related targets, 1 783 disease-related targets and 320 common targets were obtained in this study. PPI network analysis showed that the core targets of HJP for ED included ESR1, HSP90AA1, SRC, and STAT3. GO functional enrichment analysis indicated the involvement of the core targets in such biological processes as response to xenobiotic stimulus, positive regulation of kinase activity, and positive regulation of MAPK cascade. KEGG pathway enrichment analysis suggested that PI3K-Akt, apoptosis, MAPK, HIF-1, VEGF, autophagy and other signaling pathways may be related to the mechanism of HJP acting on ED. Molecular docking prediction exhibited a good docking activity of the key active molecules of HJP with the core targets.

CONCLUSION:

This study showed that HJP acted on ED through multi-components, multi-targets and multi-pathways, which has provided some evidence and reference for the clinical treatment and subsequent studies of the disease.
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Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Medicamentos de Ervas Chinesas / Mapas de Interação de Proteínas / Simulação de Acoplamento Molecular / Farmacologia em Rede / Disfunção Erétil / Medicina Tradicional Chinesa Limite: Humans / Male Idioma: Zh Revista: Zhonghua Nan Ke Xue Assunto da revista: MEDICINA REPRODUTIVA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: China País de publicação: China
Buscar no Google
Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Medicamentos de Ervas Chinesas / Mapas de Interação de Proteínas / Simulação de Acoplamento Molecular / Farmacologia em Rede / Disfunção Erétil / Medicina Tradicional Chinesa Limite: Humans / Male Idioma: Zh Revista: Zhonghua Nan Ke Xue Assunto da revista: MEDICINA REPRODUTIVA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: China País de publicação: China