Rational design of reversible acetylcholinesterase inhibitors.
A large amount of structural information on AChE and AChE-inhibitor complexes is currently available. Based on that, molecular modeling studies can be intensively used to gain insight into the mechanism of action of the enzyme and the molecular determinants that modulate the potency of inhibitors. In turn, this knowledge can be exploited to design new compounds leading to more effective cholinergic strategies. This manuscript reviews recent developments in the design of reversible acetylcholinesterase inhibitors.
D000110:Acetylcholinesterase / Q000187:drug effects / Q000378:metabolism*; D000544:Alzheimer Disease / Q000188:drug therapy*; D000818:Animals; D018678:Cholinergic Agents / Q000138:chemical synthesis / Q000494:pharmacology / Q000627:therapeutic use; D002800:Cholinesterase Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology / Q000627:therapeutic use; D015195:Drug Design; D006801:Humans; D008958:Models, Molecular
D018678:Cholinergic Agents; D002800:Cholinesterase Inhibitors; D000110:Acetylcholinesterase