Network Pharmacology and Molecular Docking of Convolvulus pluricaulis in the Treatment of Myocardial Infarction
Year: 2025
Type: article
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.
Author: Shabin P*, Savitha Mol G M, Anusha Jasmine R J, Akshaya P, Jyothi B N, Liya S Saji, Kiran K J, Prasobh G R
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7081574983
FWCI:
Cites:
Cited by:
Related to: