Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues

• Published in: Chemical Data Collections
• Main Authors: Ullah H., Rahim F., Ullah E., Hayat S., Zada H., Khan F., Wadood A., Nawaz F., Rehman Z.U., Shah S.A.A.
• Format: Data Paper
• Language: English
• Published: Elsevier B.V. 2023
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146025150&doi=10.1016%2fj.cdc.2022.100987&partnerID=40&md5=d5c2d2db5e0743b3b0525d8e7ca2b594

Diabetes mellitus is one of the most chronic metabolic diseases. Since past few years, our research group had synthesized and evaluated libraries of heterocyclic analogues against α-glucosidase enzyme and found encouraging results. The current study comprises of evaluation of Isatin as antidiabetic agents. A library of fifteen analogues (1–15) were synthesized, characterized through different techniques such as NMR and HREI-MS and evaluated for α-glucosidase activity. In the series, four analogues 12, 10, 4 and 8 showed outstanding inhibitory potential having an IC50 values 9.30 ± 0.30, 16.20 ± 0.20, 16.50 ± 0.40 and 16.80 ± 0.20 µM respectively, which is many folds better than standard drug acarbose. These analogues may potentially serve as lead for the development of new therapeutic representatives. Moreover, in silico docking study were carried out to investigate active binding mode of selected analogues with the target enzyme. © 2022 Elsevier B.V.