In Silico Screening for Computational Exploration of Interactions, Synthesis, and Comparative Evaluation of Novel Furan-2-Quinolone Derivatives as Potent Anticoagulants

There is an urgent need for the design and development of new and safer drugs for the treatment of (Blood coagulation). New derivatives of furan-2-qoinoline as anti-coagulation drug bearing furan, quinolone, were synthesized with the aim of developing new drug inhibitors (Factor Xa enzyme) respectively. In our study, synthesis of the new organic compounds derived from Furo-2-quinolone substituted by treated with ammonia derivatives like hydrazine, give K6, and (1-Amino-4,6-dimethyl furo[3,2-g] quinoline-2-one) K6 then react with Formaldehyde to form K6a. And evaluated their effects on coagulation in the docking (MCULE). then compared this compound, with the Rivaroxaban. compound give the result based on docking program analysis. And chose the novel compound that showed the highest negative AG value, indicating strong interaction and effective inhibition of (Factor Xa) enzymes. This enzyme plays a crucial role in the series of chemical reactions that lead to blood clotting. The results showed that the prepared organic compound exhibited strong binding and inhibition towards these enzymes. Therefore, this theoretical study, based on the docking MCULE program, indicates that the new organic compound K6a is a more potent anticoagulant than and Rivaroxaban. This is because this compound inhibits the activity of Factor Xa, preventing the formation of thrombin. Without thrombin, fibrin (the protein that forms the basis of a blood clot) cannot form. As a result, blood clot formation is reduced, helping to prevent clots in blood vessels.