Background: Diabetes is a leading cause of high mortality rate in the world. Recently,
SGLT2 inhibitors showed the promising result to treat diabetes and therefore several molecules are
approved by the US FDA.
Objective: SGLT2 inhibitors were designed based on dioxabicyclo[3.2.1] octane with the aim to search
new lead molecule.
Methods: The molecular structures were drawn in ChemBiodraw ultra and molecular docking study
was performed by AutoDock Vina 1.5.6 software. The LogP and toxicity were predicted online using
AlogP and Lazar in-silico respectively.
Results: Among all the designed molecules, SK306 showed the maximum binding affinity against the
3dh4 SGLT2 protein of Vibrio parahaemolyticus. LogP values were also calculated in order to determine
the lipophilic property of the best binding molecules which show LogP 2.82-3.79 in the range for
good absorption and elimination, also predicted to be non-toxic.
Conclusion: SGLT2 inhibitors were designed based on the dioxabicyclo [3.2.1] octane resulting in a
new lead molecule with high binding affinity; also these molecules were predicted to be noncarcinogenic
with low LogP.