The prediction of acute toxicity (LD₅₀) for organophosphorus-based chemical warfare agents (V-series) using toxicology in silico methods.

ABSTRACT: Nerve agents are organophosphate chemical warfare agents that exert their toxic effects by irreversibly inhibiting acetylcholinesterase, affecting the breakdown of the neurotransmitter acetylcholine in the synaptic cleft. Due to the risk of exposure to dangerous nerve agents and for animal welfare reasons, in silico methods have been used to assess acute toxicity safely. The next-generation risk assessment (NGRA) is a new approach for predicting toxicological parameters that can meet modern requirements for toxicological research. The present study explains the acute toxicity of the examined V-series nerve agents (n = 9) using QSAR models. Toxicity Estimation Software Tool (ver. 4.2.1 and ver. 5.1.2), QSAR Toolbox (ver. 4.6), and ProTox-II browser application were used to predict the media

SUBMITTER: Noga M 

PROVIDER: S-EPMC10761519 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature