Towards new C6-rigid S-DABO HIV-1 reverse transcriptase inhibitors: Synthesis,biological investigation and molecular modeling studies |
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| Authors: | Hai-Qiu Wu Zi-Hong Yan Wen-Xue Chen Qiu-Qin He Fen-Er Chen Erik De Clercq Jan Balzarini Dirk Daelemans Christophe Pannecouque |
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| Affiliation: | 1. Department of Chemistry, Fudan University, Shanghai 200433, People’s Republic of China;2. Institute of Biomedical Science, Fudan University, Shanghai 200433, People’s Republic of China;3. Rega Institute for Medical Research, KU Leuven, 10 Minderbroedersstraat, B-3000 Leuven, Belgium |
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| Abstract: | A series of C6-rigid S-DABO analogs characterized by a substituted benzoyl group at C6 position of the pyrimidine ring has been synthesized and biological evaluation as NNRTIs against wild-type HIV-1 strain IIIB, double RT mutant (K103N + Y181C) strain RES056 as well as HIV-2 strain ROD in MT-4 cell cultures. Most of the compounds exhibited moderate antiviral activities. Among them, compound 7q displayed the highest anti-HIV-1 activity with an EC50 value of 0.26 μM and a selectivity index (SI) of 541. The preliminary structure–activity relationship (SAR) of these new S-DABOs was investigated, the target RT was confirmed and docking study was performed. |
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