Network Pharmacology and Molecular Docking of Convolvulus pluricaulis in the Treatment of Myocardial Infarction

Myocardial infarction (MI) arises from prolonged ischemia and cardiac tissue necrosis, driven by oxidative stress, inflammation, apoptosis, and fibrosis. Conventional single-target drugs provide limited benefit, necessitating multi-target approaches. This study evaluated Convolvulus pluricaulis (Shankhpushpi) for cardioprotective potential using network pharmacology and molecular docking. Four phytochemicals—kaempferol, scopoletin, caffeic acid, and 4-hydroxycinnamic acid—were identified through phytochemical screening and ADME/Toxicity analysis, with kaempferol showing optimal drug-likeness. Target prediction yielded 254 compound-related proteins, intersecting with >6,000 MI genes to identify 163 common targets. Protein–protein interaction analysis highlighted key hub genes (AKT1, PIK3CA, MMP2, MMP9, STAT3, EGFR, PTGS2, SRC, CCND1, CASP3) enriched in PI3K-Akt and relaxin signaling pathways. Docking revealed kaempferol’s strong binding affinity (–8.0 to –9.2 kcal/mol) to AKT1, MMP2, MMP9, and PIK3CA, suggesting anti-apoptotic and anti-inflammatory effects. These findings support C. pluricaulis as a multi-target MI therapy candidate, warranting further in vitro, in vivo, and clinical validation.

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-09-12
DOI
https://doi.org/10.5281/zenodo.17108485
Primary Topic
Geochemistry and Geologic Mapping
Type
article
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article

Network Pharmacology and Molecular Docking of Convolvulus pluricaulis in the Treatment of Myocardial Infarction

Zenodo (CERN European Organization for Nuclear Research)
Geochemistry and Geologic Mapping
article

Network Pharmacology and Molecular Docking of Convolvulus pluricaulis in the Treatment of Myocardial Infarction

article en

Abstract

Myocardial infarction (MI) arises from prolonged ischemia and cardiac tissue necrosis, driven by oxidative stress, inflammation, apoptosis, and fibrosis. Conventional single-target drugs provide limited benefit, necessitating multi-target approaches. This study evaluated Convolvulus pluricaulis (Shankhpushpi) for cardioprotective potential using network pharmacology and molecular docking. Four phytochemicals—kaempferol, scopoletin, caffeic acid, and 4-hydroxycinnamic acid—were identified through phytochemical screening and ADME/Toxicity analysis, with kaempferol showing optimal drug-likeness. Target prediction yielded 254 compound-related proteins, intersecting with >6,000 MI genes to identify 163 common targets. Protein–protein interaction analysis highlighted key hub genes (AKT1, PIK3CA, MMP2, MMP9, STAT3, EGFR, PTGS2, SRC, CCND1, CASP3) enriched in PI3K-Akt and relaxin signaling pathways. Docking revealed kaempferol’s strong binding affinity (–8.0 to –9.2 kcal/mol) to AKT1, MMP2, MMP9, and PIK3CA, suggesting anti-apoptotic and anti-inflammatory effects. These findings support C. pluricaulis as a multi-target MI therapy candidate, warranting further in vitro, in vivo, and clinical validation.

Zenodo (CERN European Organization for Nuclear Research)
Good health and well-being
Openalex Percentile: Top 44%
Geochemistry and Geologic Mapping
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Network Pharmacology and Molecular Docking of Convolvulus pluricaulis in the Treatment of Myocardial Infarction · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS