Article
Revealing the drug-resistant mechanism for diarylpyrimidine analogue inhibitors of HIV-1 reverse transcriptase.
Chemical biology & drug design - 1 Sept 2011
Zhang Hao, Qin Fang, Ye Wei, Li Zeng, Ma Songyao, Xia Yan, Jiang Yi, Zhu Jiayi, Li Yixue, Zhang Jian, Chen Hai-Feng
Abstract excerpt
Diaryltriazine (DATA) and diarylpyrimidine (DAPY) were two category inhibitors with highly potent activity for wild type (wt) and four principal mutant types (L100I, K103N, Y181C and Y188L) of HIV-1 reverse transcriptase (RT). We had revealed the drug-resistant mechanism of DATA analogue inhibitors with molecular dynamics simulation and three-dimensional quantitative structure-activity relationship (3D-QSAR)...
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