HEMOLINE: In vitro and In silico analysis of Kangkong (Ipomoea aquatica) extract as blood thinning component for anticoagulation in response to cardiovascular diseases through factor Xa hydrolase (PDB ID: 2P16) inhibition

Cardiovascular diseases (CVDs) are a leading cause of death worldwide, often linked to excessive blood clot formation. While current anticoagulants are effective, they pose bleeding risks and require close monitoring. This study examines the anticoagulant potential of Kangkong (I. aquatica) extract by assessing clotting time using PT and aPTT in vitro assays. Results showed that the crude extract significantly prolonged clotting times (42.02s ± 2.72s), surpassing the normal range and exceeding the machine’s limit (210s ± 0s), similar to heparin. This suggests I. aquatica may delay clotting by partially inhibiting tissue clotting factors in the extrinsic pathway. Additionally, the study explores the extract’s ability to inhibit Factor Xa Hydrolase (PDB ID: 2P16) through molecular docking analysis via AutoDock Vina. A total of 70 phytochemicals from I. aquatica underwent docking analysis, revealing that Tamarixetin had the strongest binding affinity (-8.7 kcal/mol), followed by Kaempferol (-8.6 kcal/mol) and Isorhamnetin (-8.5 kcal/mol). The top 10 compounds interacted with at least one active site residue of human coagulation Factor X complexed with an apixaban inhibitor, demonstrating strong potential to prevent thrombus formation and inhibit thrombin generation. The research highlights I. aquatica as a promising natural anticoagulant, capable of significantly prolonging clotting times and interacting with coagulation-related proteins. These findings support its potential as a plant-based alternative to traditional anticoagulants, paving the way for safer, more accessible therapies for preventing and managing cardiovascular diseases.