Molecular docking and secondary metabolite ADMET studies from Curcuma longa linn. as an antithrombotic

D-dimer is a fibrin degradation residue that occurs when the fibrinolytic system disassembles a formed blood clot. Higher D-dimer levels may indicate an abnormal blood clotting state, potentially related to increased FXII activation. Anticoagulant drugs targeting FXIIa inhibition can efficiently reduce D-dimer levels and manage thrombotic diseases. Anticoagulants, such as warfarin, are associated with increased susceptibility to bleeding. The rhizome of Curcuma longa Linn. has shown important potential in its anti-thrombotic activity. This study aims to find secondary metabolites in C. longa that have an inhibitory ability against molecular processes associated with thrombotic symptoms. Experiments were conducted to predict in silico and ADMET. Candidate compounds obtained from knapsack families were evaluated according to the criteria outlined in Lipinski’s Theory. Thereafter, these compounds underwent docking investigations with FXIIa (6b77). The docking process was performed through Autodock 4.2 software. Additionally, the chemicals were analyzed using ADMET (http://www.swissadme.ch/). Bisdemethoxycurcumin and Demethoxycurcumin showed potential as FXIIa inhibitors, as indicated by the findings from the molecular docking investigation.