Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases

Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases

Biscoumarin analogs 1-18 have been synthesized, characterized by EI-MS and 1H NMR and evaluated for α-glucosidase inhibitory potential. All compounds showed variety of α-glucosidase inhibitory potential ranging in between 13.5 ± 0.39 and 104.62 ± 0.3 μM when compared with standard acarbose having IC...

Full description

Bibliographic Details
Published in:Bioorganic Chemistry
Main Author: Zawawi N.K.N.A.; Taha M.; Ahmat N.; Ismail N.H.; Wadood A.; Rahim F.; Rehman A.U.
Format: Article
Language:English
Published: Academic Press Inc. 2015
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84942945274&doi=10.1016%2fj.bioorg.2015.09.004&partnerID=40&md5=550982f9b5743c78d8ad9a3e07dd6408
id 2-s2.0-84942945274
spelling 2-s2.0-84942945274
Zawawi N.K.N.A.; Taha M.; Ahmat N.; Ismail N.H.; Wadood A.; Rahim F.; Rehman A.U.
Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
2015
Bioorganic Chemistry
63

10.1016/j.bioorg.2015.09.004
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84942945274&doi=10.1016%2fj.bioorg.2015.09.004&partnerID=40&md5=550982f9b5743c78d8ad9a3e07dd6408
Biscoumarin analogs 1-18 have been synthesized, characterized by EI-MS and 1H NMR and evaluated for α-glucosidase inhibitory potential. All compounds showed variety of α-glucosidase inhibitory potential ranging in between 13.5 ± 0.39 and 104.62 ± 0.3 μM when compared with standard acarbose having IC50 value 774.5 ± 1.94 μM. The binding interactions of the most active analogs were confirmed through molecular docking. The compounds showed very good interactions with enzyme. All synthesized compounds 1-18 are new. Our synthesized compounds can further be studied to developed lead compounds. © 2015 Elsevier Inc. All rights reserved.
Academic Press Inc.
452068
English
Article
author Zawawi N.K.N.A.; Taha M.; Ahmat N.; Ismail N.H.; Wadood A.; Rahim F.; Rehman A.U.
spellingShingle Zawawi N.K.N.A.; Taha M.; Ahmat N.; Ismail N.H.; Wadood A.; Rahim F.; Rehman A.U.
Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
author_facet Zawawi N.K.N.A.; Taha M.; Ahmat N.; Ismail N.H.; Wadood A.; Rahim F.; Rehman A.U.
author_sort Zawawi N.K.N.A.; Taha M.; Ahmat N.; Ismail N.H.; Wadood A.; Rahim F.; Rehman A.U.
title Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
title_short Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
title_full Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
title_fullStr Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
title_full_unstemmed Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
title_sort Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases
publishDate 2015
container_title Bioorganic Chemistry
container_volume 63
container_issue
doi_str_mv 10.1016/j.bioorg.2015.09.004
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-84942945274&doi=10.1016%2fj.bioorg.2015.09.004&partnerID=40&md5=550982f9b5743c78d8ad9a3e07dd6408
description Biscoumarin analogs 1-18 have been synthesized, characterized by EI-MS and 1H NMR and evaluated for α-glucosidase inhibitory potential. All compounds showed variety of α-glucosidase inhibitory potential ranging in between 13.5 ± 0.39 and 104.62 ± 0.3 μM when compared with standard acarbose having IC50 value 774.5 ± 1.94 μM. The binding interactions of the most active analogs were confirmed through molecular docking. The compounds showed very good interactions with enzyme. All synthesized compounds 1-18 are new. Our synthesized compounds can further be studied to developed lead compounds. © 2015 Elsevier Inc. All rights reserved.
publisher Academic Press Inc.
issn 452068
language English
format Article
accesstype
record_format scopus
collection Scopus
_version_ 1809678486695051264

Similar Items