In silico studies for the identification of potential SGLT2 inhibitors
Abstract
Sodium glucose cotransporter 2 (SGLT2) inhibitors work by controlling the blood glucose levels, through limiting reabsorption of glucose from the blood therefore, and promoting glucose excretion in the urine. As it is reason for the 90% of reabsorption of glucose through insulin-independent mechanism. The present study described the screening of potential SGLT2 inhibitors using docking studies. In silico studies were carried out with help of the Schrödinger software using PDB ID:3DH4. Inhibitors were docked which resulted that phlorizin is one of the most potent compound having highest docking score −12.118 kcal/mol showing binding interaction with the Asn64, Ser66, Ala63, Ser91, Tyr263, Glu88, and Gln 428 (PBD ID: 3DH4) amino acids. Various ADME properties were studied and numerous properties were also analyzed. The forecast model can also be used for the further development of the potential compounds against SGLT2.
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