Synthesis of Novel Triazinoindole-Based Thiourea Hybrid: A Study on α-Glucosidase Inhibitors and Their Molecular Docking

Abstract

A new class of triazinoindole-bearing thiosemicarbazides (<b>1</b>-<b>25</b>) was synthesized and evaluated for α-glucosidase inhibitory potential. All synthesized analogs exhibited excellent inhibitory potential, with IC₅₀ values ranging from 1.30 ± 0.01 to 35.80 ± 0.80 µM when compared to standard acarbose (an IC₅₀ value of 38.60 ± 0.20 µM). Among the series, analogs <b>1</b> and <b>23</b> were found to be the most potent, with IC₅₀ values of 1.30 ± 0.05 and 1.30 ± 0.01 µM, respectively. The structure-activity relationship (SAR) was mainly based upon bringing about different substituents on the phenyl rings. To confirm the binding interactions, a molecular docking study was performed.