Synthesis and evaluation of novel thiohydantoin derivatives for antidiabetic activity using in silico in vitro and in vivo methods.

ABSTRACT: Diabetes mellitus remains a global health challenge, necessitating the development of novel therapeutic agents. In this study, a series of thiohydantoin derivatives (FP1-FP7) were synthesized and evaluated for their in silico, in vitro, and in vivo antidiabetic potential. Molecular docking studies revealed strong binding affinities of derivatives towards α-glucosidase (PDB: 3wy1) and α-amylase (PDB: 3dhp), with FP4 exhibiting the most favorable interactions (- 7.8 kcal/mol with α-amylase and - 7.0 kcal/mol with α-glucosidase), involving hydrogen bonding and π-π stacking. During in vitro enzyme inhibition assay, FP4 demonstrated potent inhibitory activity against α-glucosidase and α-amylase, with IC₅₀ values of 129.40 and 128.90 µg/mL, respectively. The DPPH scavenging assay also indicated

SUBMITTER: Bukhari A 

PROVIDER: S-EPMC12316928 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature