Synthesis of novel triazinoindole-based thiourea hybrid: A study on α-glucosidase inhibitors and their molecular docking

• Published in: Molecules
• Main Author: Taha M.; Alshamrani F.J.; Rahim F.; Hayat S.; Ullah H.; Zaman K.; Imran S.; Khan K.M.; Naz F.
• Format: Article
• Language: English
• Published: MDPI AG 2019
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85074173138&doi=10.3390%2fmolecules24213819&partnerID=40&md5=1aaba8fd20ee7cbe3156c6ab079b008b

A new class of triazinoindole-bearing thiosemicarbazides (1-25) 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 1 and 23 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. © 2019 by the authors.