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Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc Natl Acad Sci U S A. 2023 Jan 10;120(2):e2212931120. doi: 10.1073/pnas.2212931120. Epub 2023 Jan 4.
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Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J Am Chem Soc. 2022 Feb 23;144(7):2905-2920. doi: 10.1021/jacs.1c08402. Epub 2022 Feb 10.
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Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
ACS Med Chem Lett. 2021 Jul 14;12(8):1325-1332. doi: 10.1021/acsmedchemlett.1c00326. eCollection 2021 Aug 12.
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Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2.
Science. 2021 Jul 30;373(6554):541-547. doi: 10.1126/science.abi4708. Epub 2021 Jun 22.
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The Structure-Based Design of SARS-CoV-2 nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors.
ACS Infect Dis. 2021 Aug 13;7(8):2214-2220. doi: 10.1021/acsinfecdis.1c00131. Epub 2021 Jun 21.
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What Are the Odds of Finding a COVID-19 Drug from a Lab Repurposing Screen?
J Chem Inf Model. 2020 Dec 28;60(12):5727-5729. doi: 10.1021/acs.jcim.0c00861. Epub 2020 Sep 11.
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Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease.
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