Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis

To investigate the mechanisms of Yangxuetongmai Decoction in treating essential hypotension using network pharmacology, Mendelian randomization, and molecular docking strategy analysis. Active ingredients of Yangxuetongmai Decoction were identified from the TCMSP database, and target proteins were predicted. Essential hypotension proteins were sourced from GeneCards, OMIM, PharmGKB, TTD, and DrugBank and standardized via UniProt. Drug-disease protein interactions were analyzed with STRING and Cytoscape to identify core targets. GO, and KEGG enrichment was performed using R. Mendelian randomization, which assessed causal links and molecular docking validated interactions. 47 active ingredients and 230 potential targets were identified, with core targets including MAPK3, IL10, PRKCA, and APOB. Enriched pathways—PI3K-AKT, TNF, IL-17, MAPK, and calcium—were linked to essential hypotension. Mendelian randomization confirmed the protective effects of core targets, while molecular docking showed a strong binding affinity with bioactive compounds. Major components, such as β-sitosterol, formononetin, Kaempferol, luteolin, naringenin, and quercetin, may alleviate essential hypotension by modulating PI3K-AKT, TNF, IL-17, MAPK, and calcium pathways through interactions with core proteins. This study aimed to predict the mechanism of Yangxuetongmai Decoction in treating essential hypotension through network pharmacology, Mendelian randomization, and molecular docking methods, revealing one of its overall mechanisms.

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Publication Details

Journal
Letters in Drug Design & Discovery
Published
2025-01-01
DOI
https://doi.org/10.1016/j.lddd.2025.100008
Primary Topic
Metabolomics and Mass Spectrometry Studies
Type
article
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article

Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis

Xianliang Wang, Huimin Fan, Yuting Mei, Jingyuan Mao et al.
Letters in Drug Design & Discovery
Metabolomics and Mass Spectrometry Studies
article

Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis

Xianliang Wang, Huimin Fan, Yuting Mei, Jingyuan Mao, Xuan Zhang, Mengxue Zhou, Shanshan Lin
article en

Abstract

To investigate the mechanisms of Yangxuetongmai Decoction in treating essential hypotension using network pharmacology, Mendelian randomization, and molecular docking strategy analysis. Active ingredients of Yangxuetongmai Decoction were identified from the TCMSP database, and target proteins were predicted. Essential hypotension proteins were sourced from GeneCards, OMIM, PharmGKB, TTD, and DrugBank and standardized via UniProt. Drug-disease protein interactions were analyzed with STRING and Cytoscape to identify core targets. GO, and KEGG enrichment was performed using R. Mendelian randomization, which assessed causal links and molecular docking validated interactions. 47 active ingredients and 230 potential targets were identified, with core targets including MAPK3, IL10, PRKCA, and APOB. Enriched pathways—PI3K-AKT, TNF, IL-17, MAPK, and calcium—were linked to essential hypotension. Mendelian randomization confirmed the protective effects of core targets, while molecular docking showed a strong binding affinity with bioactive compounds. Major components, such as β-sitosterol, formononetin, Kaempferol, luteolin, naringenin, and quercetin, may alleviate essential hypotension by modulating PI3K-AKT, TNF, IL-17, MAPK, and calcium pathways through interactions with core proteins. This study aimed to predict the mechanism of Yangxuetongmai Decoction in treating essential hypotension through network pharmacology, Mendelian randomization, and molecular docking methods, revealing one of its overall mechanisms.

Letters in Drug Design & DiscoveryVol. 22(1)
Tianjin University of Traditional Chinese Medicine (CN), First Teaching Hospital of Tianjin University of Traditional Chinese Medicine (CN)
Zero hunger
Openalex Percentile: Top 93%
Metabolomics and Mass Spectrometry Studies
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