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Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Godoy AS, Nakamura AM, Douangamath A, Song Y, Noske GD, Gawriljuk VO, Fernandes RS, Pereira HDM, Oliveira KIZ, Fearon D, Dias A, Krojer T, Fairhead M, Powell A, Dunnet L, Brandao-Neto J, Skyner R, Chalk R, Bajusz D, Bege M, Borbás A, Keserű GM, von Delft F, Oliva G. Godoy AS, et al. Among authors: dias a. Nucleic Acids Res. 2023 Jun 9;51(10):5255-5270. doi: 10.1093/nar/gkad314. Nucleic Acids Res. 2023. PMID: 37115000 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. Among authors: dias a. Nat Commun. 2020 Oct 7;11(1):5047. doi: 10.1038/s41467-020-18709-w. Nat Commun. 2020. PMID: 33028810 Free PMC article.
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Carvalho Martins L, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT; QCRG Structural Biology Consortium; Aimon A, Bennett JM, Brandao Neto J, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs MR, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Rack JGM, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, O'Brien P, Jura N, Ashworth A, Irwin JJ, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. Schuller M, et al. Among authors: dias a. Sci Adv. 2021 Apr 14;7(16):eabf8711. doi: 10.1126/sciadv.abf8711. Print 2021 Apr. Sci Adv. 2021. PMID: 33853786 Free PMC article.
Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source.
Douangamath A, Powell A, Fearon D, Collins PM, Talon R, Krojer T, Skyner R, Brandao-Neto J, Dunnett L, Dias A, Aimon A, Pearce NM, Wild C, Gorrie-Stone T, von Delft F. Douangamath A, et al. Among authors: dias a. J Vis Exp. 2021 May 29;(171). doi: 10.3791/62414. J Vis Exp. 2021. PMID: 34125095
Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking.
Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Martins LC, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT; QCRG Structural Biology Consortium; Aimon A, Bennett JM, Neto JB, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs M, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ; Johannes Gregor Matthias Rack; Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, Jura N, Ashworth A, Irwin J, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. Schuller M, et al. Among authors: dias a. bioRxiv [Preprint]. 2020 Nov 24:2020.11.24.393405. doi: 10.1101/2020.11.24.393405. bioRxiv. 2020. Update in: Sci Adv. 2021 Apr 14;7(16):eabf8711. doi: 10.1126/sciadv.abf8711. PMID: 33269349 Free PMC article. Updated. Preprint.
Antifungal potential of essential oils from different botanical sources against Penicillium digitatum: chemical composition and antifungal mechanisms of action by direct contact and volatile.
Souza EJD, Kringel DH, Lima Costa IH, Hackbart HCDS, Cantillano RFF, Ueno B, Dias ARG, Zavareze EDR. Souza EJD, et al. Among authors: dias arg. Nat Prod Res. 2024 Sep 19:1-9. doi: 10.1080/14786419.2024.2405865. Online ahead of print. Nat Prod Res. 2024. PMID: 39295586
2,323 results