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Published:
May 8, 2006Keywords:
3'-Azido-3'-deoxythymidine (AZT) 3'-Azido-2' 3'-dideoxyuridine (CS-87) Inhibitors of HIV-1 replication Causative agents of AIDS AZT conformers Abinitio Density functional theory
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THE COMPARISON OF STRUCTURE AND PROPERTY OF AZT CONFORMERS AND ITS ANALOGUE CS-87 USING DENSITY FUNCTIONAL THEORY CALCULATIONS: A STUDY OF ANTI-AIDS
Abstract
The compounds 3'-azido-3'-deoxythymidine (AZT), 3'-azido-2',3'-dideoxyuridine (CS-87) are active inhibitors of HIV-1 replication, the causative agents of AIDS. We report Abinitio, DFT results of two AZT conformers; A-AZT and CS-87 by different basis sets and on structural and electronic properties. It is shown that A-AZT and CS-87 are similar in structure and properties. The B-AZT conformer is different from them interestingly and it is predicted that B-AZT is to be the active form of AZT.
KEY WORDS: 3'-Azido-3'-deoxythymidine (AZT), 3'-Azido-2',3'-dideoxyuridine (CS-87), Inhibitors of HIV-1 replication, Causative agents of AIDS, AZT conformers, Abinitio, Density functional theory
Bull. Chem. Soc. Ethiop. 2006, 20(1), 133-142.
KEY WORDS: 3'-Azido-3'-deoxythymidine (AZT), 3'-Azido-2',3'-dideoxyuridine (CS-87), Inhibitors of HIV-1 replication, Causative agents of AIDS, AZT conformers, Abinitio, Density functional theory
Bull. Chem. Soc. Ethiop. 2006, 20(1), 133-142.
