The present invention provides a novel homology three-dimensional structure of Glycogen Synthase Kinase 3-Alpha (GSK3-Alpha) or a variant thereof for screening, designing and/or synthesizing a modulator that modulates the activity of GSK3-Alpha and method of generating said three dimensional structure thereof. The three-dimensional structure of GSK3-Alpha is defined by at least a portion of structural co-ordinates of Table 1. Further, the present invention provides a computer assisted system for generating said three-dimensional structure of GSK3-Alpha or a variant thereof. Further, the present invention relates to a method of screening, designing and/or synthesizing a modulator for modulating the activity of GSK3-? or a variant thereof.