Identification of Structural Features for 4-Methyl-3-(6-[Phenyl Methylene] Amino} Pyridine-3-yl)-2h Chromen-2-One Derivatives as Clotting Factor XA Inhibitors

Kundan B. Ingale, Manish S. Bhatia

Abstract

Anticoagulants are used to prevent the formation and extension of blood clots in various disorders as prophylactic agents for thrombo-embolic disorders. Designing of specific inhibitors against molecular targets that play a pivotal role in the coagulation cascade is indispensable. Clotting Factor Xa is one such attractive target for the design of new oral anticoagulants because of the unique role factor Xa plays in the coagulation cascade as a connection between the extrinsic and intrinsic pathways. Application of computational techniques in drug discovery process helps in identifying parameters which can lead to achieve better pharmacological profile. The docking interactions and QSAR studies performed on series of 4-methy-3-(6-[phenyl methylene] amino} pyridine-3-yl)-2H chromen-2-one derivatives provide significant insights for designing of better ligands as anticoagulants.

Keywords: 3D QSAR, Activated Partial Thromboplastin Time, Chromen-2-one, Molecular Docking, Prothrombin time, Anticoagulants, Pharmaceutical Chemistry, Clotting Factor, pyridine, thromboplastin