Article
Computational Design of Phosphotriesterase Improves V-Agent Degradation Efficiency.
ChemistryOpen - 1 Jul 2024
Kronenberg Jacob, Chu Stanley, Olsen Andrew, Britton Dustin, Halvorsen Leif, Guo Shengbo, Lakshmi Ashwitha, Chen Jason, Kulapurathazhe Maria Jinu, Baker Cetara A, Wadsworth Benjamin C, Van Acker Cynthia J, Lehman John G, Otto Tamara C, Renfrew P Douglas, Bonneau Richard, Montclare Jin Kim
Abstract excerpt
Organophosphates (OPs) are a class of neurotoxic acetylcholinesterase inhibitors including widely used pesticides as well as nerve agents such as VX and VR. Current treatment of these toxins relies on reactivating acetylcholinesterase, which remains ineffective. Enzymatic scavengers are of interest for their ability to degrade OPs systemically before they reach their target. Here we describe a library of...
Topics
- Phosphoric Triester Hydrolases
- Cholinesterase Inhibitors
- Organothiophosphorus Compounds
- Mutation
- Hydrolysis
- Models, Molecular