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Investigation of the Interaction of Warfarin with Arginine and Thyroxine with Tyrosine. | ||
| karbala journal of pharmaceutical sciences | ||
| Article 1, Volume 4, Issue 5, 2013, Pages 16-23 PDF (0 K) | ||
| Authors | ||
| Abd AL. Kareem Khaleel; Huda N. AL- Ania; Elham M. A. AL- Rufaie | ||
| 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. | ||
| Keywords | ||
| HAS; heat of formation; HOMO; LUMO | ||
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