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Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J Med Chem. 2022 Nov 24;65(22):15416-15432. doi: 10.1021/acs.jmedchem.2c01357. Epub 2022 Nov 11.
J Med Chem. 2022.
PMID: 36367089
Free PMC article.
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Douangamath A, Fearon D, Gehrtz P, Krojer T, Lukacik P, Owen CD, Resnick E, Strain-Damerell C, Aimon A, Ábrányi-Balogh P, Brandão-Neto J, Carbery A, Davison G, Dias A, Downes TD, Dunnett L, Fairhead M, Firth JD, Jones SP, Keeley A, Keserü GM, Klein HF, Martin MP, Noble MEM, O'Brien P, Powell A, Reddi RN, Skyner R, Snee M, Waring MJ, Wild C, London N, von Delft F, Walsh MA.
Douangamath A, et al.
Nat Commun. 2020 Oct 7;11(1):5047. doi: 10.1038/s41467-020-18709-w.
Nat Commun. 2020.
PMID: 33028810
Free PMC article.
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FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
Wood DJ, Lopez-Fernandez JD, Knight LE, Al-Khawaldeh I, Gai C, Lin S, Martin MP, Miller DC, Cano C, Endicott JA, Hardcastle IR, Noble MEM, Waring MJ.
Wood DJ, et al.
J Med Chem. 2019 Apr 11;62(7):3741-3752. doi: 10.1021/acs.jmedchem.9b00304. Epub 2019 Mar 26.
J Med Chem. 2019.
PMID: 30860382
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