Exploring the potential mechanisms of Mahuang Fuzi Xixin decoction in treating elderly bronchial asthma through network pharmacology, molecular docking, and molecular dynamics simulations DOI Creative Commons

Hongpeng Yu,

Xiaotong Wei,

Huan Ding

et al.

Medicine, Journal Year: 2024, Volume and Issue: 103(41), P. e39921 - e39921

Published: Oct. 11, 2024

Modern medical practice has confirmed the efficacy of Mahuang Fuzi Xixin Decoction (MHFZXXD) in treating elderly bronchial asthma, but its specific mechanisms action remain to be clarified. Therefore, this study utilizes network pharmacology, molecular docking techniques, and dynamics simulations explore key active components, core target genes, potential MHFZXXD treatment asthma. Active components related targets were identified through retrieval screening TCMSP, Swiss Targets Prediction, Uniprot databases. Relevant for asthma searched using GeneCards, OMIM, Pharm GKB databases, followed by selection intersecting between drug’s disease. A PPI diagram was created String Cytoscape software, disease traditional Chinese medicine imported into DAVID database GO KEGG enrichment analysis further their action. Subsequently, performed AutoDock Vina Gromacs verify binding capacity stability genes with components. The results indicate that MHFZXXD, such as quercetin, luteolin, kaempferol, multiple including AKT1, EGF, MYC, TGFB1, PTEN, CCND1. They exert effects signaling pathways TNF, PI3K-Akt, HIF-1. Molecular show bind stably Overall, may reduce inflammatory responses improve hypoxic conditions apoptosis during progression targets, pathways, thereby delaying malignant This provides relevant evidence experimental data clinical research.

Language: Английский

Exploring the potential mechanisms of Mahuang Fuzi Xixin decoction in treating elderly bronchial asthma through network pharmacology, molecular docking, and molecular dynamics simulations DOI Creative Commons

Hongpeng Yu,

Xiaotong Wei,

Huan Ding

et al.

Medicine, Journal Year: 2024, Volume and Issue: 103(41), P. e39921 - e39921

Published: Oct. 11, 2024

Modern medical practice has confirmed the efficacy of Mahuang Fuzi Xixin Decoction (MHFZXXD) in treating elderly bronchial asthma, but its specific mechanisms action remain to be clarified. Therefore, this study utilizes network pharmacology, molecular docking techniques, and dynamics simulations explore key active components, core target genes, potential MHFZXXD treatment asthma. Active components related targets were identified through retrieval screening TCMSP, Swiss Targets Prediction, Uniprot databases. Relevant for asthma searched using GeneCards, OMIM, Pharm GKB databases, followed by selection intersecting between drug’s disease. A PPI diagram was created String Cytoscape software, disease traditional Chinese medicine imported into DAVID database GO KEGG enrichment analysis further their action. Subsequently, performed AutoDock Vina Gromacs verify binding capacity stability genes with components. The results indicate that MHFZXXD, such as quercetin, luteolin, kaempferol, multiple including AKT1, EGF, MYC, TGFB1, PTEN, CCND1. They exert effects signaling pathways TNF, PI3K-Akt, HIF-1. Molecular show bind stably Overall, may reduce inflammatory responses improve hypoxic conditions apoptosis during progression targets, pathways, thereby delaying malignant This provides relevant evidence experimental data clinical research.

Language: Английский

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