Acetylcholinesterase Inhibitors from QSAR Point of View: How Close are We?
Anuradha Sharma, Poonam Piplani · Central Nervous System Agents in Medicinal Chemistry · 2013
In view of the large libraries of acetylcholinesterase inhibitors (AChEIs) that are now being handled in organic synthesis, the identification of drug biological activity is advisable prior to synthesis and this can be achieved by employing predictive biological property methods. In this sense, Quantitative Structure–Activity Relationships (QSAR) or docking approaches have emerged as promising tools. The intention of this review is to summarize the present knowledge concerning computational predictions of AChEIs and AChE. Keywords: Acetylcholinesterase inhibitors, computational predictions, docking approaches, molecular modeling, QSAR