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
- Field-Weighted Citation Impact
- 0.00