Covalent Inhibition of Wild-Type HIV‑1 Reverse Transcriptase Using a Fluorosulfate Warhead
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https://figshare.com/articles/dataset/Covalent_Inhibition_of_Wild-Type_HIV_1_Reverse_Transcriptase_Using_a_Fluorosulfate_Warhead/13526391
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资源简介：
Covalent
inhibitors of wild-type HIV-1 reverse transcriptase (CRTIs)
are reported. Three compounds derived from catechol diether non-nucleoside
inhibitors (NNRTIs) with addition of a fluorosulfate warhead are demonstrated
to covalently modify Tyr181 of HIV-RT. X-ray crystal structures for
complexes of the CRTIs with the enzyme are provided, which fully demonstrate
the covalent attachment, and confirmation is provided by appropriate
mass shifts in ESI-TOF mass spectra. The three CRTIs and six noncovalent
analogues are found to be potent inhibitors with both IC50 values for in vitro inhibition of WT RT and EC50 values
for cytopathic protection of HIV-1-infected human T-cells in the 5–320
nM range.
创建时间：
2021-01-06
