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Synthesis and biological evaluation of novel C5 halogen-functionalized S-DABO as potent HIV-1 non-nucleoside reverse transcriptase inhibitors |
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| Authors: | Hua Qin Chang Liu Ying Guo Ruiping Wang Jianfang Zhang Liying Ma Zhili Zhang Xiaowei Wang Yuxin Cui Junyi Liu |
| Affiliation: | 1. State key Laboratory of National and Biomimetic Drug, Peking University, Beijing 100191, PR China;2. College of Pharmaceutical Sciences, Capital Medical University, Beijing 100069, PR China;3. Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, PR China;4. State Key Laboratory for Infection Disease Prevention and Control, National Center for AIDS/STD Control and Prevention (NCAIDS), Chinese Center for Disease Control and Prevention, Beijing 100050, PR China |
| Abstract: | A series of novel S-DABO analogues (4a1–5a12) have been synthesized by an efficient method and evaluated as inhibitors of human immunodeficiency virus type-1 (HIV-1). The biological testing results clearly indicated that the substitution of halogen at the C5 position of pyrimidine ring could increase the anti-HIV-1 RT activity. The most active compounds showed activity in the low micromole range with IC50 values (IC50 0.18–3.03 μM) comparable to nevirapine (IC50 4.12 μM). The docking showed that a new halogen bond was formed between halogen and carbonyl of TYR188 in the HIV-I RT. |
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