Virtual Screening of Iridoids SGLT2 Inhibitors Based on Molecular Docking and Pharmacophore Model

Sodium-glucose cotransporter 2 (SGLT2) plays a key role in the reabsorption of glucose in the kidney. Most of the marketed SGLT2 inhibitors have side effects such as hypovolemia and easy induction of urinary and reproductive system infections. Therefore, the development of new SGLT2 inhibitors is of great significance. Iridoids have certain hypoglycemic effects, but their relationship with SGLT2 targets is unclear. In this paper, molecular docking and pharmacophore models of virtual methods are utilized. In this study, 12 iridoid compounds were found to have a high matching ability. Especially, compounds 71 and 100 had higher scores in the two screening methods. Their target protein binding patterns are highly similar to the positive control Empagliflozin. The results showed that iridoid compounds may have potential SGLT2 inhibitory activity, especially No.71 and No.100 molecules have high potential research value, which are worthy of further study.