Investigation of the Interaction of Warfarin with Arginine and Thyroxine with Tyrosine.

Abstract

Moleculer complxes of drugs (Warfarin and Thyroxine) with amino acids (Arginine and Tyrosine) were studied theoretically using PM3 Semi-empirical calculations of molecular orbital model and IR- techniques. The studied systems was: Warfarin with Arginine and Thyroxine with Tyrosine , The optimized geometry of the complexes showed interaction between drugs and Amino Acid molecules, the bending energies for these interaction varies from (- 4.194 to – 0.529) Kcal.mol-1. Which attributed to the formation of hydrogen bonding, and confirm experimentally by the IR- technique.