Privileged substructures for anti-sickling activity via cheminformatic analysis

SubFPC303, SubFPC302 and SubFPC275). Furthermore, an analysis of the structure-activity relationship revealed that the length of alkyl chains, choice of functional moiety and position of substitution on the benzene ring may affect the anti-sickling activity of these compounds. Thus, this knowledge is anticipated to be useful for guiding the design of robust compounds against the gelling activity of HbS, as preliminarily demonstrated in the data-driven compound design presented herein.