The comparison of structure and property of AZT conformers and its analogue CS-87 using density functional theory calculations: A study of anti-AIDS
Yazarlar (3)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
A. Abedi Islamic Azad University, North Tehran Branch, İran
H. Passdar
Islamic Azad University, North Tehran Branch, İran
Islamic Azad University, North Tehran Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Bulletin of the Chemical Society of Ethiopia | ||
| Dergi ISSN | 1011-3924 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2006 |
| Cilt / Sayı / Sayfa | 20 / 1 / 133–142 | DOI | – |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-33744758284&partnerID=MN8TOARS | ||
| Özet |
| The compounds 3′-azido-3′-deoxythymidine (AZT), 3′-azido-2′,3′-dideoxyundine (CS-87) are active inhibitors of HIV-1 replication, the causative agents of AIDS. We report Abinitio, DFT results of two AZT conformen; 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. © 2006 Chemical Society of Ethiopia. |
| Anahtar Kelimeler |
| 3′-Azido-2′, 3′-dideoxyuridine (CS-87) | 3′-Azido-3′-deoxythymidine (AZT) | Abinitio | AZT conformers | Causative agents of AIDS | Density functional theory | Inhibition of HIV-1 replication |
