Multi-Target Cardioprotective Potential of

Background: Myocardial infarction (MI), especially its adrenaline-induced myocardial injury, remains a leading cause of global mortality, often resulting in irreversible cardiac damage and heart failure due to stress cardiomyopathy. Objectives: Design: The current study investigated the predicted cardioprotective potential of Method: Thirty bioactive compounds from the whole plant were identified. Of these, eight lead phytochemicals, including neo-clerodane diterpenoids and phytoecdysteroids, were subjected to ADMET screening. They passed the screening showing desirable drug-like properties. From network pharmacology analysis, 278 overlapping targets were identified between MI-associated genes and those in the ingredient database. The top three hub proteins were AKT1 (node degree 151), GAPDH (150), and TNF (149), respectively. Results: GO and KEGG enrichment analyses showed that these genes were primarily involved in the regulation of the apoptotic process, oxidant stress response, and the PI3K-Akt, TNF, and MAPK signaling pathways. Molecular docking (MOE 2019.01) results show that Ivain II showed the strongest binding affinity score with value of -9.42 kcal/mol for GAPDH and TNF-α through multiple hydrogen bonds, lipophilic contacts, and π-alkyl interactions. Conclusion: These findings provide the first computational mechanistic insight into the predicted multi-target cardioprotective potential of