Synthesis, molecular docking and DFT analysis of novel bis-Schiff base derivatives with thiobarbituric acid for α-glucosidase inhibition assessment.

ABSTRACT: A library of novel bis-Schiff base derivatives based on thiobarbituric acid has been effectively synthesized by multi-step reactions as part of our ongoing pursuit of novel anti-diabetic agents. All these derivatives were subjected to in vitro α-glucosidase inhibitory potential testing after structural confirmation by modern spectroscopic techniques. Among them, compound 8 (IC₅₀ = 0.10 ± 0.05 µM), and 9 (IC₅₀ = 0.13 ± 0.03 µM) exhibited promising inhibitory activity better than the standard drug acarbose (IC₅₀ = 0.27 ± 0.04 µM). Similarly, derivatives (5, 6, 7, 10 and 4) showed significant to good inhibitory activity in the range of IC₅₀ values from 0.32 ± 0.03 to 0.52 ± 0.02 µM. These derivatives were docked with the target protein to elucidate

SUBMITTER: Gul S 

PROVIDER: S-EPMC10858901 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature