In-Silico Analysis of Papain Fibrinolytic Mechanism from Carica Papaya

This study investigates the fibrinolytic mechanism of papain from Carica papaya using in-silico methods, revealing its potential as a novel treatment for cardiovascular diseases. Through molecular docking and dynamics analyses, seven fibrin peptides were identified as papain's cleavage targets, with high binding affinity and stable docking positions. Most peptides, except FibAα-1, approached the critical catalytic distance, indicating potential cleavability. FibAα-2 and FibBβ-4 showed superior docking and molecular dynamics performance, suggesting they may be preferentially cleaved by papain. These results highlight papain's promise as a plant-based fibrinolytic agent.