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X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Günther S, Reinke PYA, Fernández-García Y, Lieske J, Lane TJ, Ginn HM, Koua FHM, Ehrt C, Ewert W, Oberthuer D, Yefanov O, Meier S, Lorenzen K, Krichel B, Kopicki JD, Gelisio L, Brehm W, Dunkel I, Seychell B, Gieseler H, Norton-Baker B, Escudero-Pérez B, Domaracky M, Saouane S, Tolstikova A, White TA, Hänle A, Groessler M, Fleckenstein H, Trost F, Galchenkova M, Gevorkov Y, Li C, Awel S, Peck A, Barthelmess M, Schlünzen F, Lourdu Xavier P, Werner N, Andaleeb H, Ullah N, Falke S, Srinivasan V, França BA, Schwinzer M, Brognaro H, Rogers C, Melo D, Zaitseva-Doyle JJ, Knoska J, Peña-Murillo GE, Mashhour AR, Hennicke V, Fischer P, Hakanpää J, Meyer J, Gribbon P, Ellinger B, Kuzikov M, Wolf M, Beccari AR, Bourenkov G, von Stetten D, Pompidor G, Bento I, Panneerselvam S, Karpics I, Schneider TR, Garcia-Alai MM, Niebling S, Günther C, Schmidt C, Schubert R, Han H, Boger J, Monteiro DCF, Zhang L, Sun X, Pletzer-Zelgert J, Wollenhaupt J, Feiler CG, Weiss MS, Schulz EC, Mehrabi P, Karničar K, Usenik A, Loboda J, Tidow H, Chari A, Hilgenfeld R, Uetrecht C, Cox R, Zaliani A, Beck T, Rarey M, Günther S, Turk D, Hinrichs W, Chapman HN, Pearson AR, Betzel C, Meents A. Günther S, et al. Among authors: sun x. Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2. Science. 2021. PMID: 33811162 Free PMC article.
Synthesis, Structure-Activity Relationships, and Antiviral Profiling of 1-Heteroaryl-2-Alkoxyphenyl Analogs as Inhibitors of SARS-CoV-2 Replication.
Bardiot D, Vangeel L, Koukni M, Arzel P, Zwaagstra M, Lyoo H, Wanningen P, Ahmad S, Zhang L, Sun X, Delpal A, Eydoux C, Guillemot JC, Lescrinier E, Klaassen H, Leyssen P, Jochmans D, Castermans K, Hilgenfeld R, Robinson C, Decroly E, Canard B, Snijder EJ, van Hemert MJ, van Kuppeveld F, Chaltin P, Neyts J, De Jonghe S, Marchand A. Bardiot D, et al. Among authors: sun x. Molecules. 2022 Feb 4;27(3):1052. doi: 10.3390/molecules27031052. Molecules. 2022. PMID: 35164317 Free PMC article.
Evaluation of the anti-SARS-CoV-2 properties of essential oils and aromatic extracts.
Strub DJ, Talma M, Strub M, Rut W, Zmudzinski M, Brud W, Neyts J, Vangeel L, Zhang L, Sun X, Lv Z, Nayak D, Olsen SK, Hilgenfeld R, Jochmans D, Drąg M. Strub DJ, et al. Among authors: sun x. Sci Rep. 2022 Aug 20;12(1):14230. doi: 10.1038/s41598-022-18676-w. Sci Rep. 2022. PMID: 35987981 Free PMC article.
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: sun x. 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.
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