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Design and Synthesis of 56 Shape-Diverse 3D Fragments.
Downes TD, Jones SP, Klein HF, Wheldon MC, Atobe M, Bond PS, Firth JD, Chan NS, Waddelove L, Hubbard RE, Blakemore DC, De Fusco C, Roughley SD, Vidler LR, Whatton MA, Woolford AJ, Wrigley GL, O'Brien P. Downes TD, et al. Chemistry. 2020 Jul 22;26(41):8969-8975. doi: 10.1002/chem.202001123. Epub 2020 Jul 8. Chemistry. 2020. PMID: 32315100 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.
Exploration of piperidine 3D fragment chemical space: synthesis and 3D shape analysis of fragments derived from 20 regio- and diastereoisomers of methyl substituted pipecolinates.
Jones SP, Firth JD, Wheldon MC, Atobe M, Hubbard RE, Blakemore DC, De Fusco C, Lucas SCC, Roughley SD, Vidler LR, Whatton MA, Woolford AJ, Wrigley GL, O'Brien P. Jones SP, et al. RSC Med Chem. 2022 Oct 11;13(12):1614-1620. doi: 10.1039/d2md00239f. eCollection 2022 Dec 14. RSC Med Chem. 2022. PMID: 36545433 Free PMC article.
Fragment-derived modulators of an industrial β-glucosidase.
Makraki E, Darby JF, Carneiro MG, Firth JD, Heyam A, Ab E, O'Brien P, Siegal G, Hubbard RE. Makraki E, et al. Biochem J. 2020 Nov 27;477(22):4383-4395. doi: 10.1042/BCJ20200507. Biochem J. 2020. PMID: 33111951 Free PMC article.
On the synthesis of α-amino sulfoxides.
Rayner PJ, Gelardi G, O'Brien P, Horan RA, Blakemore DC. Rayner PJ, et al. Org Biomol Chem. 2014 Jun 7;12(21):3499-512. doi: 10.1039/c4ob00567h. Epub 2014 Apr 24. Org Biomol Chem. 2014. PMID: 24759885
2,901 results