Assessing the reactivation efficacy of hydroxylamine anion towards VX-inhibited AChE: A computational study

Journal of Molecular Modeling

Volumn 18, Issue 5, 2012, Pages 1801-1808

  Khan, Md Abdul Shafeeuulla ^a   Ganguly, Bishwajit ^a  

^a CSIR CENTRAL SALT AND MARINE CHEMICALS RESEARCH INSTITUTE   (India)

Author keywords

Alphanucleophiles; Density functional calculations; Hydroxylamine anion; OP inhibited AChE; Reactivation

Indexed keywords

ACETYLCHOLINESTERASE; HYDROXYLAMINE; METHYLPHOSPHONOTHIOIC ACID S (2 DIISOPROPYLAMINOETHYL) O ETHYL ESTER;

ARTICLE; CALCULATION; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ENZYME ANALYSIS; ENZYME INHIBITION; ENZYME REACTIVATION; ENZYME STRUCTURE; PRIORITY JOURNAL;

ACETYLCHOLINESTERASE; ANIONS; ANTIDOTES; CHEMICAL WARFARE AGENTS; CHOLINESTERASE INHIBITORS; CHOLINESTERASE REACTIVATORS; HUMANS; HYDROXYLAMINE; KINETICS; MODELS, MOLECULAR; ORGANOTHIOPHOSPHORUS COMPOUNDS; QUANTUM THEORY; THERMODYNAMICS;

EID: 84861228712     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1209-y     Document Type: Article

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