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

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

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...

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Published in:Chemical Data Collections
Main Author: 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
id 2-s2.0-85146025150
spelling 2-s2.0-85146025150
Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
2023
Chemical Data Collections
43

10.1016/j.cdc.2022.100987
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.
Elsevier B.V.
24058300
English
Data paper
author Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
spellingShingle Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
author_facet Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
author_sort Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
title Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
title_short Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
title_full Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
title_fullStr Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
title_full_unstemmed Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
title_sort Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
publishDate 2023
container_title Chemical Data Collections
container_volume 43
container_issue
doi_str_mv 10.1016/j.cdc.2022.100987
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146025150&doi=10.1016%2fj.cdc.2022.100987&partnerID=40&md5=d5c2d2db5e0743b3b0525d8e7ca2b594
description 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.
publisher Elsevier B.V.
issn 24058300
language English
format Data paper
accesstype
record_format scopus
collection Scopus
_version_ 1809678477913227264

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