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xia2.multiplex: a multi-crystal data-analysis pipeline.
Gildea RJ, Beilsten-Edmands J, Axford D, Horrell S, Aller P, Sandy J, Sanchez-Weatherby J, Owen CD, Lukacik P, Strain-Damerell C, Owen RL, Walsh MA, Winter G. Gildea RJ, et al. Among authors: strain damerell c. Acta Crystallogr D Struct Biol. 2022 Jun 1;78(Pt 6):752-769. doi: 10.1107/S2059798322004399. Epub 2022 May 18. Acta Crystallogr D Struct Biol. 2022. PMID: 35647922 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.
Mass spectrometry reveals potential of β-lactams as SARS-CoV-2 Mpro inhibitors.
Malla TR, Tumber A, John T, Brewitz L, Strain-Damerell C, Owen CD, Lukacik P, Chan HTH, Maheswaran P, Salah E, Duarte F, Yang H, Rao Z, Walsh MA, Schofield CJ. Malla TR, et al. Chem Commun (Camb). 2021 Feb 15;57(12):1430-1433. doi: 10.1039/d0cc06870e. Chem Commun (Camb). 2021. PMID: 33462575 Free PMC article.
Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Redhead MA, Owen CD, Brewitz L, Collette AH, Lukacik P, Strain-Damerell C, Robinson SW, Collins PM, Schäfer P, Swindells M, Radoux CJ, Hopkins IN, Fearon D, Douangamath A, von Delft F, Malla TR, Vangeel L, Vercruysse T, Thibaut J, Leyssen P, Nguyen TT, Hull M, Tumber A, Hallett DJ, Schofield CJ, Stuart DI, Hopkins AL, Walsh MA. Redhead MA, et al. Sci Rep. 2021 Jun 24;11(1):13208. doi: 10.1038/s41598-021-92416-4. Sci Rep. 2021. PMID: 34168183 Free PMC article.
An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor.
Zaidman D, Gehrtz P, Filep M, Fearon D, Gabizon R, Douangamath A, Prilusky J, Duberstein S, Cohen G, Owen CD, Resnick E, Strain-Damerell C, Lukacik P; Covid-Moonshot Consortium; Barr H, Walsh MA, von Delft F, London N. Zaidman D, et al. Cell Chem Biol. 2021 Dec 16;28(12):1795-1806.e5. doi: 10.1016/j.chembiol.2021.05.018. Epub 2021 Jun 25. Cell Chem Biol. 2021. PMID: 34174194 Free PMC article.
Publisher Correction: Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Redhead MA, Owen CD, Brewitz L, Collette AH, Lukacik P, Strain-Damerell C, Robinson SW, Collins PM, Schäfer P, Swindells M, Radoux CJ, Hopkins IN, Fearon D, Douangamath A, von Delft F, Malla TR, Vangeel L, Vercruysse T, Thibaut J, Leyssen P, Nguyen TT, Hull M, Tumber A, Hallett DJ, Schofield CJ, Stuart DI, Hopkins AL, Walsh MA. Redhead MA, et al. Sci Rep. 2021 Sep 28;11(1):19633. doi: 10.1038/s41598-021-99041-1. Sci Rep. 2021. PMID: 34584208 Free PMC article. No abstract available.
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding.
Chan HTH, Moesser MA, Walters RK, Malla TR, Twidale RM, John T, Deeks HM, Johnston-Wood T, Mikhailov V, Sessions RB, Dawson W, Salah E, Lukacik P, Strain-Damerell C, Owen CD, Nakajima T, Świderek K, Lodola A, Moliner V, Glowacki DR, Spencer J, Walsh MA, Schofield CJ, Genovese L, Shoemark DK, Mulholland AJ, Duarte F, Morris GM. Chan HTH, et al. Chem Sci. 2021 Sep 6;12(41):13686-13703. doi: 10.1039/d1sc03628a. eCollection 2021 Oct 27. Chem Sci. 2021. PMID: 34760153 Free PMC article.
Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
Brewitz L, Dumjahn L, Zhao Y, Owen CD, Laidlaw SM, Malla TR, Nguyen D, Lukacik P, Salah E, Crawshaw AD, Warren AJ, Trincao J, Strain-Damerell C, Carroll MW, Walsh MA, Schofield CJ. Brewitz L, et al. Among authors: strain damerell c. J Med Chem. 2023 Feb 23;66(4):2663-2680. doi: 10.1021/acs.jmedchem.2c01627. Epub 2023 Feb 9. J Med Chem. 2023. PMID: 36757959 Free PMC article.
39 results