Results 71 to 80 of about 674 (166)

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

Pyridinium Oximes with Ortho-Positioned Chlorine Moiety Exhibit Improved Physicochemical Properties and Efficient Reactivation of Human Acetylcholinesterase Inhibited by Several Nerve Agents

, 2018
Six chlorinated bispyridinium mono-oximes, analogous to potent charged reactivators K027, K048, and K203, were synthesized with the aim of improving lipophilicity and reducing the pKa value of the oxime group, thus resulting in a higher oximate ...
Ondrej Soukup (1475038), Tamara Zorbaz (5988824), David Malinak, Adam Skarka (5988833), Nikolina Maček Hrvat, Maja Katalinić, Kamil Musilek, Kamil Musilek (1476094), Kamil Kuca (1474993), Marketa Benkova (4850329), Nikolina Maček Hrvat (1599688), Maja Katalinić (1599685), Zrinka Kovarik (1599691), Adam Skarka, Ondrej Soukup, Kamil Kuca, Antonio Zandona (5988830), Nikola Maraković (5988827), Antonio Zandona, Nikola Maraković, David Malinak (1475035), Rudolf Andrys (5988836), Rudolf Andrys, Michal Novotny (3134412), Tamara Zorbaz, Marketa Benkova, Michal Novotny, Zrinka Kovarik   +27 more
core   +2 more sources

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

Analogues with Fluorescent Leaving Groups for Screening and Selection of Enzymes That Efficiently Hydrolyze Organophosphorus Nerve Agents

, 2016
Enzymes that efficiently hydrolyze highly toxic organophosphorus nerve agents could potentially be used as medical countermeasures. As sufficiently active enzymes are currently unknown, we synthesized twelve fluorogenic analogues of organophosphorus ...
Gareth R. Williams (538728), Alan R. Fersht (5589), Andy P. Smith (2655121), Janet Wetherell (2655124), David Sellers (2655118), Christopher M. Timperley (783508), Stuart Notman (2361871), Jim Hill (2655115), Andrew D. Griffiths (1898392), Nichola H. Williams (2655112), Luis Briseño-Roa (227389)   +10 more
core   +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

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

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

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, Gass, Ian A., Cragg, Peter; id_orcid   +7 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

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