Title : In silico pharmacophore model for tabun-inhibited acetylcholinesterase reactivators: a study of their stereoelectronic properties.

Pub. Date : 2010 Jan

PMID : 20028185






2 Functional Relationships(s)
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1 The in silico pharmacophore model of oxime affinity for binding to GA-inhibited AChE was found to require a hydrogen bond acceptor, a hydrogen bond donor at the two terminal regions, and an aromatic ring in the central region of the oximes. Hydrogen acetylcholinesterase (Cartwright blood group) Homo sapiens
2 The in silico pharmacophore model of oxime affinity for binding to GA-inhibited AChE was found to require a hydrogen bond acceptor, a hydrogen bond donor at the two terminal regions, and an aromatic ring in the central region of the oximes. Hydrogen acetylcholinesterase (Cartwright blood group) Homo sapiens