Results 81 to 90 of about 687 (168)

Structural Determinants for the Stereoselective Hydrolysis of Chiral Substrates by Phosphotriesterase

, 2016
Wild-type phosphotriesterase (PTE) preferentially hydrolyzes the RP enantiomers of the nerve agents sarin (GB) and cyclosarin (GF) and their chromophoric analogues.
Steven C. Almo (198342), Ping-Chuan Tsai (2264890), Yi Qin Gao (132523), Yubo Fan (301788), Jungwook Kim (583755), Lijiang Yang (1313232), Frank M. Raushel (1306041)   +6 more
core   +1 more source

Novel TRPA1 antagonist lead compound and its therapeutic potential in organophosphate poisoning

In Silico Research in Biomedicine
Organophosphate toxicity mediated by the TRPA1 ion channel presents a significant challenge in neurotoxicology. This study computationally explores a novel, potential inhibitory site within the TRPA1 channel pore, centered on the Serine 1039 residue ...
Shreya Satyanarayan Bhat, Spoorthi R Kulkarni, Vidya Niranjan, Rakesh Kumar Majhi, PhD   +3 more
doaj   +1 more source

Supstituirani monokvaterni oksimi kao reaktivatori acetilkolinesteraze inhibirane ciklosarinom i klorpirifosom

Arhiv za higijenu rada i toksikologiju, 2007
This paper describes an in vitro study of three potential acetylcholinesterase (AChE; EC 3.1.1.7) reactivators derived from a monoquaternary reactivator pralidoxime. Compounds used were pyridinium-2-aldoxime-4-carbamoyl-N-methyl iodide (TO231), pyridinium-2-aldoxime-4-ethoxycarbonyl-N-methyl iodide (TO237), and pyridinium-2-aldoxime-5-ethoxycarbonyl-N ...
Racakova, Veronika, Hrabinova, Martina, Jun, Daniel, Kuča, Kamil   +3 more
openaire   +4 more sources

Human carboxylesterase 1 active site structure.

, 2013
Active site of human carboxylesterase 1 covalently inhibited via S221 with cyclosarin (magenta) [8]. The other catalytic residues, in addition to S221, are H468 and E354 (yellow), and are surrounded by hydrophobic residues (grey surface) including V146 ...
Steven L. Lewis (354519), Matthew R. Redinbo (93591), Carol C. Edwards (354521), Tamara C. Otto (350617), Philip M. Potter (23125), Douglas M. Cerasoli (350618), C. Linn Cadieux (354524), John R. Cashman (354526), Lyudmila Tsurkan (354523), Shane A. Kasten (354525), Roberto A. Chica (109101), Stephen L. Mayo (109096), Monika Wierdl (354512), Jonathan S. Edwards (354516), Andrew C. Hemmert (354510)   +14 more
core   +1 more source

Potent 3‐Hydroxy‐2‐Pyridine Aldoxime Reactivators of Organophosphate‐Inhibited Cholinesterases with Predicted Blood–Brain Barrier Penetration

, 2018
International audienceA new series of 3‐hydroxy‐2‐pyridine aldoxime compounds have been designed, synthesised and tested in vitro, in silico, and ex vivo as reactivators of human acetylcholinesterase (hAChE) and butyrylcholinesterase (hBChE) inhibited by
Pérez, Belén, de La Mora, Eugenio, Renard, Pierre-Yves, Belén Pérez, Nikolina Maček Hrvat, Silman, I., Maja Katalinić, Mougeot, Romain, Catherine Gomez, Florian Nachon, Pierre-Yves Renard, Martin Weik, Israel Silman, Baati, Rachid, Weik, Martin, Ludovic Jean, Marakovic, Nikola, Katalinic, Maja, Anissa Braïki, Eugenio de la Mora, Nikola Maraković, Joel L. Sussman, Jean, Ludovic, Julien Renou, Nachon, Florian, Renou, Julien, Sussman, J.L., Romain Mougeot, Rachid Baati, Kovarik, Zrinka, Tamara Zorbaz, Braïki, Anissa, Mercey, Guillaume, Guillaume Mercey, Macek Hrvat, Nikolina, Gomez, Catherine, Zrinka Kovarik, Zorbaz, Tamara   +37 more
core   +1 more source

Catalytic-site conformational equilibrium in nerve-agent adducts of acetylcholinesterase : Possible implications for the HI-6 antidote substrate specificity

, 2013
Nerve agents such as tabun, cyclosarin and Russian VX inhibit the essential enzyme acetylcholinesterase (AChE) by organophosphorylating the catalytic serine residue.
Linusson, Anna,, Börjegren, Susanne,, Akfur, Christine,, Artursson, Elisabet,, Andersson, Per Ola,, Ekström, Fredrik,   +5 more
core   +1 more source

Enantioseparation, in vitro testing, and structural characterization of triple-binding reactivators of organophosphate-inhibited cholinesterases

, 2020
The enantiomers of racemic 2-hydroxyimino-N-(azidophenylpropyl)acetamide-derived triple-binding oxime reactivators were separated, and tested for inhibition and reactivation of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibited with ...
Kovarik, Zrinka, Rončević, Igor; id_orcid, Maraković, Nikola, Šinko, Goran, Brazzalotto, Xavier, Knežević, Anamarija   +5 more
core   +1 more source

Novel Human Butyrylcholinesterase Variants: Toward Organophosphonate Detoxication

, 2015
Human butyrylcholinesterase (hBChE) is currently being developed as a detoxication enzyme for stoichiometric binding and/or catalytic hydrolysis of organophosphates.
Emily M. Smith (1326564), Beilin Wang (1326558), Jun Zhang (48506), Mary Dwyer (1326561), John R. Cashman (354526), Daniel A. Ryan (1326555), Sacha Javor (1326567)   +6 more
core   +1 more source

In vitro Evaluation of New Acetylcholinesterase Reactivators as Casual Antidotes against Tabun and Cyclosarin

Bulletin of the Korean Chemical Society, 2006
Nerve agents (sarin, tabun, soman and VX) are class of military important substances able to cause many severe intoxications during few minutes. Currently, the threat of misuse of these agents is daily discussed. Unfortunately, there is no single antidote able to treat intoxication caused by all of these agents.
openaire   +2 more sources

Spectroscopic and inclusion properties of G-series chemical warfare agents and their simulants: a DFT study [PDF]

, 2017
A computational protocol to predict the infrared spectra of chemical warfare agents (CWAs) tabun (GA), sarin (GB), soman (GD) and cyclosarin (GF) has been developed. Sarin was used to benchmark the method through gas phase simulations.
Ian A. Gass, Mark R. Sambrook, Sambrook, Mark, Gass, Ian A.; id_orcid, Peter J. Cragg, Cragg, Peter; id_orcid   +5 more
core   +1 more source