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Query String: BOCEPREVIR

SCH 503034 BOCEPREVIR acs.jmedchem.1c00409_ST.355 BDBM12311 (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide

Alugubelli, YR; Geng, ZZ; Yang, KS; Shaabani, N; Khatua, K; Ma, XR; Vatansever, EC; Cho, CC; Ma, Y; Xiao, J; Blankenship, LR; Yu, G; Sankaran, B; Li, P; Allen, R; Ji, H; Xu, S; Liu, WR A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur J Med Chem 240: (2022)
Xia, Z; Sacco, M; Hu, Y; Ma, C; Meng, X; Zhang, F; Szeto, T; Xiang, Y; Chen, Y; Wang, J Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. ACS Pharmacol Transl Sci 4: 1408-1421 (2021)

SARS-CoV-2 Mpro enzyme assay The activity of SARS-Cov-2 Mpro was determined in a Fluorescence Resonance Energy Transfer (FRET)-based enzymatic assay using FRET Substrate Dabcyl-KTSAVLQSGFRKM-E(Edans)-Amide. In brief, 5 pL of test compounds (concentrations ranging from 100 pM to 0.0017 pM) was preincubated with 5 pL of 20 nM (final concentration) Mpro enzyme for 30 min at 30 �C in an assay buffer containing 20 mM HEPES, 120 mM NaCI, 0.4 mM EDTA, and 4 mM DTT and 20% glycerol. Reaction was initiated by addition of 10 pL of 20 pM (final concentration) of FRET substrate (Dabcyl-KTSAVLQSGFRKM-E (Edans)-Amide). The reaction was incubated for 1 h and the resulting fluorescent intensity was measured at Ex=360 nm/Em=490 nm at 30 �C using a SPARK 20M plate reader (Tecan). Boceprevir was used a reference standard compound. pICso and pKi were determined using 4PL GraphPad Prism and data were represented as a mean n=2� SD.