In silico studies and in vitro evaluation of isatin-pyridine oxime hybrids as novel reactivators of acetylcholinesterase inhibited by an A-230 surrogate.
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| Title: | In silico studies and in vitro evaluation of isatin-pyridine oxime hybrids as novel reactivators of acetylcholinesterase inhibited by an A-230 surrogate. |
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| Authors: | Bernardo LB; Military Institute of Engineering (IME), Praça General Tibúrcio 80, Rio de Janeiro-RJ, 22290-270, Brazil. leandro.braga@ime.eb.br.; Institute of Chemical, Biological, Radiological and Nuclear Defense (IDQBRN), Brazilian Army Technological Center (Ctex), Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil. leandro.braga@ime.eb.br., Vieira LA; Military Institute of Engineering (IME), Praça General Tibúrcio 80, Rio de Janeiro-RJ, 22290-270, Brazil.; Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Praca General Tiburcio, 80, 22290-270, Rio de Janeiro, Brazil., Borges CVN; Military Institute of Engineering (IME), Praça General Tibúrcio 80, Rio de Janeiro-RJ, 22290-270, Brazil.; Institute of Chemical, Biological, Radiological and Nuclear Defense (IDQBRN), Brazilian Army Technological Center (Ctex), Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil., Buitrago PAG; Institute of Chemical, Biological, Radiological and Nuclear Defense (IDQBRN), Brazilian Army Technological Center (Ctex), Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil., Kuča K; Biomedical Research Centre, University Hospital in Hradec Kralove, Sokolska 581, 50003, Hradec Kralove, Czech Republic.; Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, 50003, Hradec Kralove, Czech Republic.; Center for Advanced Innovation Technologies, VSB-Technical University of Ostrava, 70800, Ostrava-Poruba, Ostrava, Czech Republic., França TCC; Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, 50003, Hradec Kralove, Czech Republic.; Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Praca General Tiburcio, 80, 22290-270, Rio de Janeiro, Brazil., Cavalcante SFA; Institute of Chemical, Biological, Radiological and Nuclear Defense (IDQBRN), Brazilian Army Technological Center (Ctex), Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil., Sousa RB; Institute of Chemical, Biological, Radiological and Nuclear Defense (IDQBRN), Brazilian Army Technological Center (Ctex), Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil., Lima ALS; Military Institute of Engineering (IME), Praça General Tibúrcio 80, Rio de Janeiro-RJ, 22290-270, Brazil., Kitagawa DAS; Institute of Chemical, Biological, Radiological and Nuclear Defense (IDQBRN), Brazilian Army Technological Center (Ctex), Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil.; Agency for Management and Technological Innovation (AGITEC), Brazilian Army Technological Center, Av. das Américas 28705, Área 4, Rio de Janeiro-RJ, 23020-470, Brazil. |
| Source: | Archives of toxicology [Arch Toxicol] 2025 May; Vol. 99 (5), pp. 2225-2228. Date of Electronic Publication: 2025 Mar 04. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Springer-Verlag Country of Publication: Germany NLM ID: 0417615 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-0738 (Electronic) Linking ISSN: 03405761 NLM ISO Abbreviation: Arch Toxicol Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1432-0738 |
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| DOI: | 10.1007/s00204-025-03976-7 |
