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Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Sanders BC, Pokhrel S, Labbe AD, Mathews II, Cooper CJ, Davidson RB, Phillips G, Weiss KL, Zhang Q, O'Neill H, Kaur M, Schmidt JG, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner DE, Kumaran D, Andi B, Babnigg G, Moriarty NW, Adams PD, Joachimiak A, Hurst BL, Kumar S, Butt TR, Jonsson CB, Ferrins L, Wakatsuki S, Galanie S, Head MS, Parks JM. Sanders BC, et al. Among authors: galanie s. Nat Commun. 2023 Mar 28;14(1):1733. doi: 10.1038/s41467-023-37254-w. Nat Commun. 2023. PMID: 36977673 Free PMC article.
Molecular tools for chemical biotechnology.
Galanie S, Siddiqui MS, Smolke CD. Galanie S, et al. Curr Opin Biotechnol. 2013 Dec;24(6):1000-9. doi: 10.1016/j.copbio.2013.03.001. Epub 2013 Mar 23. Curr Opin Biotechnol. 2013. PMID: 23528237 Free PMC article. Review.
Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
Kneller DW, Li H, Galanie S, Phillips G, Labbé A, Weiss KL, Zhang Q, Arnould MA, Clyde A, Ma H, Ramanathan A, Jonsson CB, Head MS, Coates L, Louis JM, Bonnesen PV, Kovalevsky A. Kneller DW, et al. Among authors: galanie s. J Med Chem. 2021 Dec 9;64(23):17366-17383. doi: 10.1021/acs.jmedchem.1c01475. Epub 2021 Oct 27. J Med Chem. 2021. PMID: 34705466 Free PMC article.
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
Clyde A, Galanie S, Kneller DW, Ma H, Babuji Y, Blaiszik B, Brace A, Brettin T, Chard K, Chard R, Coates L, Foster I, Hauner D, Kertesz V, Kumar N, Lee H, Li Z, Merzky A, Schmidt JG, Tan L, Titov M, Trifan A, Turilli M, Van Dam H, Chennubhotla SC, Jha S, Kovalevsky A, Ramanathan A, Head MS, Stevens R. Clyde A, et al. Among authors: galanie s. J Chem Inf Model. 2022 Jan 10;62(1):116-128. doi: 10.1021/acs.jcim.1c00851. Epub 2021 Nov 18. J Chem Inf Model. 2022. PMID: 34793155 Free article.
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Glaser J, Sedova A, Galanie S, Kneller DW, Davidson RB, Maradzike E, Del Galdo S, Labbé A, Hsu DJ, Agarwal R, Bykov D, Tharrington A, Parks JM, Smith DMA, Daidone I, Coates L, Kovalevsky A, Smith JC. Glaser J, et al. Among authors: galanie s. ACS Pharmacol Transl Sci. 2022 Apr 4;5(4):255-265. doi: 10.1021/acsptsci.2c00026. eCollection 2022 Apr 8. ACS Pharmacol Transl Sci. 2022. PMID: 35434531 Free PMC article.
Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Hameedi MA, T Prates E, Garvin MR, Mathews II, Amos BK, Demerdash O, Bechthold M, Iyer M, Rahighi S, Kneller DW, Kovalevsky A, Irle S, Vuong VQ, Mitchell JC, Labbe A, Galanie S, Wakatsuki S, Jacobson D. Hameedi MA, et al. Among authors: galanie s. Nat Commun. 2022 Sep 8;13(1):5285. doi: 10.1038/s41467-022-32922-9. Nat Commun. 2022. PMID: 36075915 Free PMC article.
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
Joshi RP, Schultz KJ, Wilson JW, Kruel A, Varikoti RA, Kombala CJ, Kneller DW, Galanie S, Phillips G, Zhang Q, Coates L, Parvathareddy J, Surendranathan S, Kong Y, Clyde A, Ramanathan A, Jonsson CB, Brandvold KR, Zhou M, Head MS, Kovalevsky A, Kumar N. Joshi RP, et al. Among authors: galanie s. J Chem Inf Model. 2023 Mar 13;63(5):1438-1453. doi: 10.1021/acs.jcim.2c01377. Epub 2023 Feb 21. J Chem Inf Model. 2023. PMID: 36808989
Validation of a metabolite-GWAS network for Populus trichocarpa family 1 UDP-glycosyltransferases.
Saint-Vincent PMB, Furches A, Galanie S, Teixeira Prates E, Aldridge JL, Labbe A, Zhao N, Martin MZ, Ranjan P, Jones P, Kainer D, Kalluri UC, Chen JG, Muchero W, Jacobson DA, Tschaplinski TJ. Saint-Vincent PMB, et al. Among authors: galanie s. Front Plant Sci. 2023 Jul 21;14:1210146. doi: 10.3389/fpls.2023.1210146. eCollection 2023. Front Plant Sci. 2023. PMID: 37546246 Free PMC article.
19 results