In-silico study, synthesis and biological evaluation of some substituted xanthone derivatives as alpha-glucosidase inhibitor

Author : Aparoop Das, Madhusmrita Dutta and Mami Malakar

Xanthone possess varieties of pharmacological activities associated with tricyclic scaffold depending on the position of different substituent(s). The main aim of this paper is to present a series of substituted hydroxy and alkoxy xanthone derivatives as novel α-glucosidase inhibitors. 27 xanthone derivatives were screened to identify α-glucosidase inhibitor with the help of molecular docking by using Discovery Studio software version 2.5. In the in-silico study designed compound showed binding energy ranging from -31.02207 to -121.31928 kcal/mol. Compound P16 showed highest binding energy followed by P7, P13, P8, P15, and P1. Five best scoring ligands were randomly selected and synthesized. The structure of the synthesized compounds were established by means of FT-IR, NMR (ˡH and ˡC) and Mass spectrum data. All the synthesized compounds were tested for their anti-diabetic activity. 3,6-bis(hydroxyethoxy)9H-xanthene-9-one; 3,6-bis(benzyloxy)9H-xanthene-9-one and 3,6-bis(heptyloxy) 9H-xanthene-9-one showed significant anti-diabetic activity as compared to the standard drug Miglitol. 3,6-bis(oxiran-2-ylmethoxy)9H-xanthene-9-one showed moderate and 1-hydroxy-3-(phenethoxy)9H-xanthene-9-one showed less anti-diabetic activity as compared to the standard drug. From the above result it may be concluded that substituted hydroxy and alkoxy xanthone derivatives are potential key approach to design of new α-glucosidase inhibitors.

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