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Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun. 2023 Mar 28;14(1):1733. doi: 10.1038/s41467-023-37254-w.
Nat Commun. 2023.
PMID: 36977673
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: surendranathan 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
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Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2.
Sanders B, Pokhrel S, Labbe A, Mathews I, Cooper C, Davidson R, Phillips G, Weiss K, Zhang Q, O'Neill H, Kaur M, Ferrins L, Schmidt J, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner D, Kumaran D, Andi B, Babnigg G, Moriarty N, Adams P, Joachimiak A, Hurst B, Kumar S, Butt T, Jonsson C, Wakatsuki S, Galanie S, Head M, Parks J.
Sanders B, et al. Among authors: surendranathan s.
Res Sq [Preprint]. 2022 Jul 21:rs.3.rs-1840200. doi: 10.21203/rs.3.rs-1840200/v1.
Res Sq. 2022.
PMID: 35898342
Free PMC article.
Updated.
Preprint.
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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: surendranathan s.
Nat Commun. 2022 Apr 27;13(1):2268. doi: 10.1038/s41467-022-29915-z.
Nat Commun. 2022.
PMID: 35477935
Free PMC article.
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Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease: room-temperature X-ray and neutron crystallography, binding thermodynamics, and antiviral activity.
Kneller D, Li H, Phillips G, Weiss K, Zhang Q, Arnould M, Jonsson C, Surendranathan S, Parvathareddy J, Blakeley M, Coates L, Louis J, Bonnesen P, Kovalevsky A.
Kneller D, et al. Among authors: surendranathan s.
Res Sq [Preprint]. 2022 Feb 11:rs.3.rs-1318037. doi: 10.21203/rs.3.rs-1318037/v1.
Res Sq. 2022.
PMID: 35169792
Free PMC article.
Updated.
Preprint.
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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: surendranathan s.
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
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Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2.
Sanders B, Pokhrel S, Labbe A, Mathews I, Cooper C, Davidson R, Phillips G, Weiss K, Zhang Q, O'Neill H, Kaur M, Ferrins L, Schmidt J, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner D, Kumaran D, Andi B, Babnigg G, Moriarrty N, Adams P, Joachimiak A, Hurst B, Kumar S, Butt T, Jonsson C, Wakatsuki S, Galanie S, Head M, Parks J.
Sanders B, et al. Among authors: surendranathan s.
Res Sq [Preprint]. 2022 Jul 21:rs.3.rs-906621. doi: 10.21203/rs.3.rs-906621/v1.
Res Sq. 2022.
PMID: 34642689
Free PMC article.
Updated.
Preprint.
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Virtual and In Vitro Antiviral Screening Revive Therapeutic Drugs for COVID-19.
Bocci G, Bradfute SB, Ye C, Garcia MJ, Parvathareddy J, Reichard W, Surendranathan S, Bansal S, Bologa CG, Perkins DJ, Jonsson CB, Sklar LA, Oprea TI.
Bocci G, et al. Among authors: surendranathan s.
ACS Pharmacol Transl Sci. 2020 Oct 14;3(6):1278-1292. doi: 10.1021/acsptsci.0c00131. eCollection 2020 Dec 11.
ACS Pharmacol Transl Sci. 2020.
PMID: 33330842
Free PMC article.
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