QM/MM Description of Newly Selected Catalytic Bioscavengers Against Organophosphorus Compounds Revealed Reactivation Stimulus Mediated by Histidine Residue in the Acyl-Binding Loop

Butyrylcholinesterase (BChE) is considered as an efficient stoichiometric antidote against organophosphorus (OP) poisons. Recently we utilized combination of calculations and ultrahigh-throughput screening (uHTS) to select BChE variants capable of catalytic destruction of OP pesticide paraoxon. The...

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Detalhes bibliográficos
Publicado no:Front Pharmacol
Main Authors: Zlobin, Alexander, Mokrushina, Yuliana, Terekhov, Stanislav, Zalevsky, Arthur, Bobik, Tatiana, Stepanova, Anastasiya, Aliseychik, Maria, Kartseva, Olga, Panteleev, Sergey, Golovin, Andrey, Belogurov, Alexey, Gabibov, Alexander, Smirnov, Ivan
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2018
Assuntos:
Pharmacology
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6085465/
https://ncbi.nlm.nih.gov/pubmed/30123127
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fphar.2018.00834
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