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Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon.

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Title: Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon.
Authors: de Paula RL; National Institute of Metrology, Quality and Technology (INMETRO), Avenida Nossa Senhora das Graças 50, Duque de Caxias 25250-020, Brazil. reuel.lp@gmail.com.; IDQBRN (Brazilian Army CBRN Defense Institute), Avenida das Américas 28705, Rio de Janeiro 23020-470, Brazil. reuel.lp@gmail.com., de Almeida JSFD; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro 22290-270, Brazil. joycesfdalmeida@gmail.com., Cavalcante SFA; IDQBRN (Brazilian Army CBRN Defense Institute), Avenida das Américas 28705, Rio de Janeiro 23020-470, Brazil. samir.cavalcante@eb.mil.br.; Walter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro (UFRJ), CCS Bloco H Cidade Universitária, Rio de Janeiro 21941-902, Brazil. samir.cavalcante@eb.mil.br., Gonçalves AS; Federal Institute of Education, Science and Technology, Avenida Ministro Salgado Filho S/N, Vila Velha 29106-010, Brazil. arlansgoncalves@gmail.com., Simas ABC; Walter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro (UFRJ), CCS Bloco H Cidade Universitária, Rio de Janeiro 21941-902, Brazil. abcsimas@nppn.ufrj.br., Franca TCC; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro 22290-270, Brazil. tanosfranca@gmail.com.; Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Králové, Rokitanskeho 62, 50003 Hradec Králové, Czech Republic. tanosfranca@gmail.com., Valis M; Department of Neurology, Charles University in Prague, Faculty of Medicine in Hradec Králové and University Hospital, Simkova 870, 50003 Hradec Králové, Czech Republic. Valismar@seznam.cz., Kuca K; Department of Chemistry, Faculty of Science, University of Hradec Králové, Rokitanskeho 62, 50003 Hradec Králové, Czech Republic. kamil.kuca@uhk.cz., Nepovimova E; Department of Chemistry, Faculty of Science, University of Hradec Králové, Rokitanskeho 62, 50003 Hradec Králové, Czech Republic. evzenie.n@seznam.cz., Granjeiro JM; National Institute of Metrology, Quality and Technology (INMETRO), Avenida Nossa Senhora das Graças 50, Duque de Caxias 25250-020, Brazil. jmgranjeiro@gmail.com.
Source: Molecules (Basel, Switzerland) [Molecules] 2018 Nov 12; Vol. 23 (11). Date of Electronic Publication: 2018 Nov 12.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon.
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  Data: <searchLink fieldCode="AU" term="%22de+Paula+RL%22">de Paula RL</searchLink>; National Institute of Metrology, Quality and Technology (INMETRO), Avenida Nossa Senhora das Graças 50, Duque de Caxias 25250-020, Brazil. reuel.lp@gmail.com.; IDQBRN (Brazilian Army CBRN Defense Institute), Avenida das Américas 28705, Rio de Janeiro 23020-470, Brazil. reuel.lp@gmail.com.<br /><searchLink fieldCode="AU" term="%22de+Almeida+JSFD%22">de Almeida JSFD</searchLink>; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro 22290-270, Brazil. joycesfdalmeida@gmail.com.<br /><searchLink fieldCode="AU" term="%22Cavalcante+SFA%22">Cavalcante SFA</searchLink>; IDQBRN (Brazilian Army CBRN Defense Institute), Avenida das Américas 28705, Rio de Janeiro 23020-470, Brazil. samir.cavalcante@eb.mil.br.; Walter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro (UFRJ), CCS Bloco H Cidade Universitária, Rio de Janeiro 21941-902, Brazil. samir.cavalcante@eb.mil.br.<br /><searchLink fieldCode="AU" term="%22Gonçalves+AS%22">Gonçalves AS</searchLink>; Federal Institute of Education, Science and Technology, Avenida Ministro Salgado Filho S/N, Vila Velha 29106-010, Brazil. arlansgoncalves@gmail.com.<br /><searchLink fieldCode="AU" term="%22Simas+ABC%22">Simas ABC</searchLink>; Walter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro (UFRJ), CCS Bloco H Cidade Universitária, Rio de Janeiro 21941-902, Brazil. abcsimas@nppn.ufrj.br.<br /><searchLink fieldCode="AU" term="%22Franca+TCC%22">Franca TCC</searchLink>; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro 22290-270, Brazil. tanosfranca@gmail.com.; Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Králové, Rokitanskeho 62, 50003 Hradec Králové, Czech Republic. tanosfranca@gmail.com.<br /><searchLink fieldCode="AU" term="%22Valis+M%22">Valis M</searchLink>; Department of Neurology, Charles University in Prague, Faculty of Medicine in Hradec Králové and University Hospital, Simkova 870, 50003 Hradec Králové, Czech Republic. Valismar@seznam.cz.<br /><searchLink fieldCode="AU" term="%22Kuca+K%22">Kuca K</searchLink>; Department of Chemistry, Faculty of Science, University of Hradec Králové, Rokitanskeho 62, 50003 Hradec Králové, Czech Republic. kamil.kuca@uhk.cz.<br /><searchLink fieldCode="AU" term="%22Nepovimova+E%22">Nepovimova E</searchLink>; Department of Chemistry, Faculty of Science, University of Hradec Králové, Rokitanskeho 62, 50003 Hradec Králové, Czech Republic. evzenie.n@seznam.cz.<br /><searchLink fieldCode="AU" term="%22Granjeiro+JM%22">Granjeiro JM</searchLink>; National Institute of Metrology, Quality and Technology (INMETRO), Avenida Nossa Senhora das Graças 50, Duque de Caxias 25250-020, Brazil. jmgranjeiro@gmail.com.
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