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2020 1
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A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening.
Gorgulla C, Padmanabha Das KM, Leigh KE, Cespugli M, Fischer PD, Wang ZF, Tesseyre G, Pandita S, Shnapir A, Calderaio A, Gechev M, Rose A, Lewis N, Hutcheson C, Yaffe E, Luxenburg R, Herce HD, Durmaz V, Halazonetis TD, Fackeldey K, Patten JJ, Chuprina A, Dziuba I, Plekhova A, Moroz Y, Radchenko D, Tarkhanova O, Yavnyuk I, Gruber C, Yust R, Payne D, Näär AM, Namchuk MN, Davey RA, Wagner G, Kinney J, Arthanari H. Gorgulla C, et al. Among authors: namchuk mn. ChemRxiv. 2020 Jul 24. doi: 10.26434/chemrxiv.12682316. Preprint. ChemRxiv. 2020. PMID: 33200116 Free PMC article. Updated.
A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening.
Gorgulla C, Padmanabha Das KM, Leigh KE, Cespugli M, Fischer PD, Wang ZF, Tesseyre G, Pandita S, Shnapir A, Calderaio A, Gechev M, Rose A, Lewis N, Hutcheson C, Yaffe E, Luxenburg R, Herce HD, Durmaz V, Halazonetis TD, Fackeldey K, Patten JJ, Chuprina A, Dziuba I, Plekhova A, Moroz Y, Radchenko D, Tarkhanova O, Yavnyuk I, Gruber C, Yust R, Payne D, Näär AM, Namchuk MN, Davey RA, Wagner G, Kinney J, Arthanari H. Gorgulla C, et al. Among authors: namchuk mn. iScience. 2021 Feb 19;24(2):102021. doi: 10.1016/j.isci.2020.102021. Epub 2021 Jan 5. iScience. 2021. PMID: 33426509 Free PMC article.
Discovery of Thienoimidazole-Based HCV NS5A Genotype 1a and 1b Inhibitors.
Giroux S, Xu J, Reddy TJ, Morris M, Cottrell KM, Cadilhac C, Henderson JA, Nicolas O, Bilimoria D, Denis F, Mani N, Ewing N, Shawgo R, L'Heureux L, Selliah S, Chan L, Chauret N, Berlioz-Seux F, Namchuk MN, Grillot AL, Bennani YL, Das SK, Maxwell JP. Giroux S, et al. Among authors: namchuk mn. ACS Med Chem Lett. 2013 Jan 27;5(3):240-3. doi: 10.1021/ml300461f. eCollection 2014 Mar 13. ACS Med Chem Lett. 2013. PMID: 24900811 Free PMC article.
Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors.
Aronov AM, Baker C, Bemis GW, Cao J, Chen G, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Martinez-Botella G, Namchuk MN, Straub J, Tang Q, Xie X. Aronov AM, et al. Among authors: namchuk mn. J Med Chem. 2007 Mar 22;50(6):1280-7. doi: 10.1021/jm061381f. Epub 2007 Feb 15. J Med Chem. 2007. PMID: 17300186
Multidose evaluation of 6,710 drug repurposing library identifies potent SARS-CoV-2 infection inhibitors In Vitro and In Vivo.
Patten JJ, Keiser PT, Gysi D, Menichetti G, Mori H, Donahue CJ, Gan X, Do Valle I, Geoghegan-Barek K, Anantpadma M, Berrigan JL, Jalloh S, Ayazika T, Wagner F, Zitnik M, Ayehunie S, Anderson D, Loscalzo J, Gummuluru S, Namchuk MN, Barabasi AL, Davey RA. Patten JJ, et al. Among authors: namchuk mn. bioRxiv. 2021 Apr 22:2021.04.20.440626. doi: 10.1101/2021.04.20.440626. Preprint. bioRxiv. 2021. PMID: 33907750 Free PMC article.
Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
Aronov AM, Tang Q, Martinez-Botella G, Bemis GW, Cao J, Chen G, Ewing NP, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Markland W, Namchuk MN, Nanthakumar S, Poondru S, Straub J, ter Haar E, Xie X. Aronov AM, et al. Among authors: namchuk mn. J Med Chem. 2009 Oct 22;52(20):6362-8. doi: 10.1021/jm900630q. J Med Chem. 2009. PMID: 19827834