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Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.

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Title: Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.
Authors: Mottin M; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.; Pathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia70910-900, Brazil., de Paula Sousa BK; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil., de Moraes Roso Mesquita NC; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil., de Oliveira KIZ; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil., Noske GD; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil., Sartori GR; Fundação Oswaldo Cruz, Ceará61773-270, Brazil., de Oliveira Albuquerque A; Fundação Oswaldo Cruz, Ceará61773-270, Brazil., Urbina F; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States., Puhl AC; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States., Moreira-Filho JT; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil., Souza GE; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil., Guido RVC; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil., Muratov E; University of North Carolina at Chapel Hill, Chapel Hill, North Carolina27599, United States.; Universidade Federal da Paraíba, Joao Pessoa, PB58051-900, Brazil., Neves BJ; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil., Martins da Silva JH; Fundação Oswaldo Cruz, Ceará61773-270, Brazil., Clark AE; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States., Siqueira-Neto JL; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States., Perryman AL; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, New Jersey07103, United States.; Repare Therapeutics, 7210 Rue Frederick-Banting, Suite 100, Montreal, QCH4S 2A1, Canada., Oliva G; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil., Ekins S; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States., Andrade CH; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2022 Dec 26; Vol. 62 (24), pp. 6825-6843. Date of Electronic Publication: 2022 Oct 14.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.
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  Data: <searchLink fieldCode="AU" term="%22Mottin+M%22">Mottin M</searchLink>; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.; Pathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia70910-900, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Paula+Sousa+BK%22">de Paula Sousa BK</searchLink>; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Moraes+Roso+Mesquita+NC%22">de Moraes Roso Mesquita NC</searchLink>; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Oliveira+KIZ%22">de Oliveira KIZ</searchLink>; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22Noske+GD%22">Noske GD</searchLink>; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22Sartori+GR%22">Sartori GR</searchLink>; Fundação Oswaldo Cruz, Ceará61773-270, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Oliveira+Albuquerque+A%22">de Oliveira Albuquerque A</searchLink>; Fundação Oswaldo Cruz, Ceará61773-270, Brazil.<br /><searchLink fieldCode="AU" term="%22Urbina+F%22">Urbina F</searchLink>; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States.<br /><searchLink fieldCode="AU" term="%22Puhl+AC%22">Puhl AC</searchLink>; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States.<br /><searchLink fieldCode="AU" term="%22Moreira-Filho+JT%22">Moreira-Filho JT</searchLink>; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.<br /><searchLink fieldCode="AU" term="%22Souza+GE%22">Souza GE</searchLink>; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22Guido+RVC%22">Guido RVC</searchLink>; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22Muratov+E%22">Muratov E</searchLink>; University of North Carolina at Chapel Hill, Chapel Hill, North Carolina27599, United States.; Universidade Federal da Paraíba, Joao Pessoa, PB58051-900, Brazil.<br /><searchLink fieldCode="AU" term="%22Neves+BJ%22">Neves BJ</searchLink>; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.<br /><searchLink fieldCode="AU" term="%22Martins+da+Silva+JH%22">Martins da Silva JH</searchLink>; Fundação Oswaldo Cruz, Ceará61773-270, Brazil.<br /><searchLink fieldCode="AU" term="%22Clark+AE%22">Clark AE</searchLink>; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States.<br /><searchLink fieldCode="AU" term="%22Siqueira-Neto+JL%22">Siqueira-Neto JL</searchLink>; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States.<br /><searchLink fieldCode="AU" term="%22Perryman+AL%22">Perryman AL</searchLink>; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, New Jersey07103, United States.; Repare Therapeutics, 7210 Rue Frederick-Banting, Suite 100, Montreal, QCH4S 2A1, Canada.<br /><searchLink fieldCode="AU" term="%22Oliva+G%22">Oliva G</searchLink>; São Carlos Institute of Physics, University of São Paulo, Avenida João Dagnone, 1100, São Carlos, São Paulo13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22Ekins+S%22">Ekins S</searchLink>; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States.<br /><searchLink fieldCode="AU" term="%22Andrade+CH%22">Andrade CH</searchLink>; Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO74605-170, Brazil.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2022 Dec 26; Vol. 62 (24), pp. 6825-6843. <i>Date of Electronic Publication: </i>2022 Oct 14.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.2c00596
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              Text: 2022 Dec 26
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