Title : Behavior of uncharged oximes compared to HI6 and 2-PAM in the human AChE-tabun conjugate: a molecular modeling approach.

Pub. Date : 2018 May

PMID : 28446076






1 Functional Relationships(s)
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1 In contrast, HI 6 and 2-PAM showed high binding energy values with great contribution of the amino acid Asp74, demonstrating the importance of the quaternary nitrogen to the affinity and interaction of the oximes/AChE tabun-inhibited complexes. Nitrogen acetylcholinesterase (Cartwright blood group) Homo sapiens