Title : In-situ synthesis of a tacrine-triazole-based inhibitor of acetylcholinesterase: configurational selection imposed by steric interactions.

Pub. Date : 2006 Oct 19

PMID : 17034128






2 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 Ab initio QM/MM results show that the reaction in the AChE gorge occurs when 3/azide and 4/acetylene are extended in a parallel orientation. Azides acetylcholinesterase (Cartwright blood group) Homo sapiens
2 All of these results, thus, imply that inside the AChE gorge, the azide group of 3 and the acetylene group of 4 always remain parallel, with the consequence that 1 is the only product. Azides acetylcholinesterase (Cartwright blood group) Homo sapiens