Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study

In the present work, we performed a complementary quantum mechanical (QM) study to describe the mechanism by which deprotonated pralidoxime (2-PAM) could reactivate human (<i>Homo sapiens sapiens</i>) acetylcholinesterase (<i>Hss</i>AChE) inhibited by the nerve agent VX. Such...

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Bibliographic Details
Main Authors: Jorge Alberto Valle da Silva, Ander Francisco Pereira, Steven R. LaPlante, Kamil Kuca, Teodorico Castro Ramalho, Tanos Celmar Costa França
Format: Article
Language:English
Published: MDPI AG 2020-01-01
Series:Biomolecules
Subjects:
Online Access:https://www.mdpi.com/2218-273X/10/2/192