Comparative Structural Study and Molecular Docking of Indoline Spiropyrans Containing alpha-Lipoic Acid Fragment

摘要

This work deals with the study of two derivatives of spiropyrans of indoline series and alpha-lipoic acid, which are considered as potential photopharmacological agents with controllable biological activity. The structure of the compounds has been studied in detail by X-ray diffraction analysis that revealed high lability of lipoic acid fragments. To assess potential biological activity, molecular docking for the possibility of spiropyran molecule to bind to amylin protein in order to inhibit its aggregation has been performed. The results of molecular docking showed a potential increase in the affinity of spirocyclic derivatives toward this protein as compared with alpha-lipoic acid.