Development of new acetylcholinesterase reactivators: Molecular modeling versus in vitro data

Chemico-Biological Interactions

Volumn 185, Issue 1, 2010, Pages 73-77

  Ramalho, Teodorico C ^a   França, Tanos C C ^b   Rennó, Magdalena N ^c   Guimarães, Ana P ^a   da Cunha, Elaine F F ^a   Kuča, Kamil ^d  

^a FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

^b MILITARY INSTITUTE OF ENGINEERING   (Brazil)

^c FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^d UNIVERSITY OF DEFENCE   (Czech Republic)

Author keywords

Acetylcholinesterase; Chemical mechanism of reactivation; Neurotoxic agents; QM MM

Indexed keywords

1 [2,4 BIS(HYDROXYIMINOMETHYL)PYRIDINIO] 1' (4 CARBAMOYLPYRIDINIO)DIMETHYL ETHER DIIODIDE; ACETYLCHOLINESTERASE; OXIME DERIVATIVE;

ARTICLE; CHOLINESTERASE INHIBITION; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG DESIGN; DRUG STRUCTURE; IN VITRO STUDY; MOLECULAR MODEL; MOUSE; NONHUMAN; PREDICTION; THEORETICAL STUDY; THERMODYNAMICS; VALIDATION PROCESS;

ACETYLCHOLINESTERASE; ANIMALS; CHOLINESTERASE REACTIVATORS; MICE; MODELS, MOLECULAR; OXIMES; PROTEIN BINDING; QUANTUM THEORY; THERMODYNAMICS;

EID: 77950933178     PISSN: 00092797     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cbi.2010.02.026     Document Type: Article

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