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Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Funk LM, Poschmann G, Rabe von Pappenheim F, Chari A, Stegmann KM, Dickmanns A, Wensien M, Eulig N, Paknia E, Heyne G, Penka E, Pearson AR, Berndt C, Fritz T, Bazzi S, Uranga J, Mata RA, Dobbelstein M, Hilgenfeld R, Curth U, Tittmann K. Funk LM, et al. Among authors: hilgenfeld r. Nat Commun. 2024 Jan 9;15(1):411. doi: 10.1038/s41467-023-44621-0. Nat Commun. 2024. PMID: 38195625 Free PMC article.
An Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease.
Clayton J, de Oliveira VM, Ibraham MF, Sun X, Mahinthichaichan P, Shen M, Hilgenfeld R, Shen J. Clayton J, et al. Among authors: hilgenfeld r. bioRxiv [Preprint]. 2023 Mar 6:2022.07.31.502215. doi: 10.1101/2022.07.31.502215. bioRxiv. 2023. Update in: J Chem Inf Model. 2023 Jun 12;63(11):3521-3533. doi: 10.1021/acs.jcim.3c00344 PMID: 35982652 Free PMC article. Updated. Preprint.
Practical courses on advanced methods in macromolecular crystallization: 20 years of history and future perspectives.
Havlickova P, Gavira JA, Mesters JR, Koutska A, Kascakova B, Prudnikova T, Hilgenfeld R, Garcia-Ruiz JM, Rezacova P, Kuta Smatanova I. Havlickova P, et al. Among authors: hilgenfeld r. J Appl Crystallogr. 2024 Aug 30;57(Pt 5):1609-1617. doi: 10.1107/S1600576724007106. eCollection 2024 Oct 1. J Appl Crystallogr. 2024. PMID: 39387072 Free PMC article.
Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study of the free enzyme and its complex with inhibitor 13b-K.
Ibrahim M, Sun X, de Oliveira VM, Liu R, Clayton J, El Kilani H, Shen J, Hilgenfeld R. Ibrahim M, et al. Among authors: hilgenfeld r. bioRxiv [Preprint]. 2024 Mar 5:2024.03.04.583178. doi: 10.1101/2024.03.04.583178. bioRxiv. 2024. PMID: 38496596 Free PMC article. Preprint.
Ebselen derivatives inhibit SARS-CoV-2 replication by inhibition of its essential proteins: PLpro and Mpro proteases, and nsp14 guanine N7-methyltransferase.
Zmudzinski M, Rut W, Olech K, Granda J, Giurg M, Burda-Grabowska M, Kaleta R, Zgarbova M, Kasprzyk R, Zhang L, Sun X, Lv Z, Nayak D, Kesik-Brodacka M, Olsen SK, Weber J, Hilgenfeld R, Jemielity J, Drag M. Zmudzinski M, et al. Among authors: hilgenfeld r. Sci Rep. 2023 Jun 6;13(1):9161. doi: 10.1038/s41598-023-35907-w. Sci Rep. 2023. PMID: 37280236 Free PMC article.
Therapeutic strategies for COVID-19: progress and lessons learned.
Li G, Hilgenfeld R, Whitley R, De Clercq E. Li G, et al. Among authors: hilgenfeld r. Nat Rev Drug Discov. 2023 Jun;22(6):449-475. doi: 10.1038/s41573-023-00672-y. Epub 2023 Apr 19. Nat Rev Drug Discov. 2023. PMID: 37076602 Free PMC article. Review.
Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
Cooper MS, Zhang L, Ibrahim M, Zhang K, Sun X, Röske J, Göhl M, Brönstrup M, Cowell JK, Sauerhering L, Becker S, Vangeel L, Jochmans D, Neyts J, Rox K, Marsh GP, Maple HJ, Hilgenfeld R. Cooper MS, et al. Among authors: hilgenfeld r. J Med Chem. 2022 Oct 13;65(19):13328-13342. doi: 10.1021/acs.jmedchem.2c01131. Epub 2022 Sep 30. J Med Chem. 2022. PMID: 36179320 Free PMC article.
191 results