@article{38e8589d663d421aa5245a6dea1573f3,
title = "De novo Design of SARS-CoV-2 Main Protease Inhibitors",
abstract = "The COVID-19 pandemic prompted many scientists to investigate remedies against SARS-CoV-2 and related viruses that are likely to appear in the future. As the main protease of the virus, MPro, is highly conserved among coronaviruses, it has emerged as a prime target for developing inhibitors. Using a combination of virtual screening and molecular modeling, we identified small molecules that were easily accessible and could be quickly diversified. Biochemical assays confirmed a class of pyridones as low micromolar noncovalent inhibitors of the viral main protease.",
keywords = "SARS-CoV-2, coronavirus, molecular modeling, small-molecule inhibitor, viral main protease",
author = "Christian Fischer and Vep{\v r}ek, {Nynke A.} and Zisis Peitsinis and R{\"u}hmann, {Klaus Peter} and Chao Yang and Spradlin, {Jessica N.} and Dustin Dovala and Nomura, {Daniel K.} and Yingkai Zhang and Dirk Trauner",
note = "Funding Information: D.T. and his group are thankful for the COVID-19 Catalyst Grant by the New York University (NYU). Y.Z. would like to acknowledge the support by the National Institutes of Health (NIH, Grant No. R35 GM127040). C.F. thanks the Swiss National Science Foundation (SNSF, Grant No. 178569) for a postdoctoral fellowship. N.A.V. thanks the Studienstiftung des Deutschen Volkes (German Academic Scholarship Foundation) for a PhD Fellowship. Z.P. and K.P.R. are supported by the New York University (NYU) MacCracken Fellowship.SchweizeicsherNaionalfondszurF{\"o}deungderWisenschaflichenFochung178569National IntiutesofHealhtR35GM127040StudienstungdesDeutchenVolkesNewYokUniveiyt Publisher Copyright: {\textcopyright} 2022 Georg Thieme Verlag. All rights reserved.",
year = "2022",
month = mar,
day = "17",
doi = "10.1055/a-1582-0243",
language = "English (US)",
volume = "33",
pages = "458--463",
journal = "Synlett",
issn = "0936-5214",
publisher = "Georg Thieme Verlag",
number = "5",
}