Assessing the therapeutic and toxicological profile of novel acetylcholinesterase reactivators: value of in silico and in vitro data.

Teodorico C Ramalho,Alexandre A de Castro,Daniel H S Leal,Jessika P Teixeira, Elaine Fontes Ferreira de Cunha,Kamil Kuca

Current medicinal chemistry（2022）

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摘要

Computational methods and conscious in vitro studies, capable of significantly predicting the toxicological profile of these drug candidates, might support the process of development of these reactivators before entering in vivo studies in animals, and then clinical trials. These approaches can assist in the design of safer and more effective molecules, reducing related cost and time for the process.

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关键词

acetylcholinesterase,computational methods,drug development.,military toxicology,organophosphorus compounds,reactivators

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