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Page 1
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: jonsson cb. 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.
Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study.
Banerjee S, Yadav S, Banerjee S, Fakayode SO, Parvathareddy J, Reichard W, Surendranathan S, Mahmud F, Whatcott R, Thammathong J, Meibohm B, Miller DD, Jonsson CB, Dubey KD. Banerjee S, et al. Among authors: jonsson cb. J Chem Inf Model. 2021 Nov 22;61(11):5469-5483. doi: 10.1021/acs.jcim.1c00524. Epub 2021 Oct 20. J Chem Inf Model. 2021. PMID: 34666487
Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease.
Kneller DW, Li H, Phillips G, Weiss KL, Zhang Q, Arnould MA, Jonsson CB, Surendranathan S, Parvathareddy J, Blakeley MP, Coates L, Louis JM, Bonnesen PV, Kovalevsky A. Kneller DW, et al. Among authors: jonsson cb. Nat Commun. 2022 Apr 27;13(1):2268. doi: 10.1038/s41467-022-29915-z. Nat Commun. 2022. PMID: 35477935 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: jonsson cb. 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
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: jonsson cb. Nat Commun. 2023 Mar 28;14(1):1733. doi: 10.1038/s41467-023-37254-w. Nat Commun. 2023. PMID: 36977673 Free PMC article.
Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel 2-amidinophenylbenzamides as potent inhibitors of venezuelan equine encephalitis virus.
Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo H, Tower NA, Noah JW, McKellip S, Sosa M, Rasmussen L, Smith LH, White EL, Aubé J, Jonsson CB, Chung D, Golden JE. Schroeder CE, et al. Among authors: jonsson cb. J Med Chem. 2014 Oct 23;57(20):8608-21. doi: 10.1021/jm501203v. Epub 2014 Oct 7. J Med Chem. 2014. PMID: 25244572 Free PMC article.
Optimization of potent and selective quinazolinediones: inhibitors of respiratory syncytial virus that block RNA-dependent RNA-polymerase complex activity.
Matharu DS, Flaherty DP, Simpson DS, Schroeder CE, Chung D, Yan D, Noah JW, Jonsson CB, White EL, Aubé J, Plemper RK, Severson WE, Golden JE. Matharu DS, et al. Among authors: jonsson cb. J Med Chem. 2014 Dec 26;57(24):10314-28. doi: 10.1021/jm500902x. Epub 2014 Dec 4. J Med Chem. 2014. PMID: 25399509 Free PMC article.
(S)-N-(2,5-Dimethylphenyl)-1-(quinoline-8-ylsulfonyl)pyrrolidine-2-carboxamide as a small molecule inhibitor probe for the study of respiratory syncytial virus infection.
Moore BP, Chung DH, Matharu DS, Golden JE, Maddox C, Rasmussen L, Noah JW, Sosa MI, Ananthan S, Tower NA, White EL, Jia F, Prisinzano TE, Aubé J, Jonsson CB, Severson WE. Moore BP, et al. Among authors: jonsson cb. J Med Chem. 2012 Oct 25;55(20):8582-7. doi: 10.1021/jm300612z. Epub 2012 Oct 16. J Med Chem. 2012. PMID: 23043370 Free PMC article.
153 results