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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Detalles Bibliográficos
Autores principales: 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: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6085465/
https://www.ncbi.nlm.nih.gov/pubmed/30123127
http://dx.doi.org/10.3389/fphar.2018.00834

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