Computational design of multitarget drugs against Alzheimer’s disease

Abstract

In the present review, the authors provide the basic background about the molecular targets implicated in the pathogenesis of Alzheimer’s disease. Furthermore, the authors review structure–activity relationships (SAR), 2D- and 3D-quantitative structure–activity relationships (QSAR), as well as other computational modeling studies performed on multitarget agents for Alzheimer’s disease. The information provided includes chemical structures of multitarget agents and/or of hybrids acting on several molecular target enzymes implicated in the Alzheimer’s disease pathogenesis and information for the used computational techniques. This should be useful in the development of new multitarget drugs with clinical applicability in Alzheimer’s disease.