Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs

Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs

Hybrid bisindole-thiosemicarbazides analogs (1–18) were synthesized and screened for β-glucuronidase activity. All compounds showed varied degree of β-glucuronidase inhibitory potential when compared with standard D-saccharic acid 1,4-lactone (IC50 = 48.4 ± 1.25 μM). Compounds 4, 7, 9, 6, 5, 12, 17...

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Published in:Bioorganic Chemistry
Main Author: Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Khan H.; Ullah H.; Salar U.; Khan K.M.
Format: Article
Language:English
Published: Academic Press Inc. 2016
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84978872852&doi=10.1016%2fj.bioorg.2016.07.008&partnerID=40&md5=f8a4038427a07f754f92a8c5f386c6af
id 2-s2.0-84978872852
spelling 2-s2.0-84978872852
Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Khan H.; Ullah H.; Salar U.; Khan K.M.
Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
2016
Bioorganic Chemistry
68

10.1016/j.bioorg.2016.07.008
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84978872852&doi=10.1016%2fj.bioorg.2016.07.008&partnerID=40&md5=f8a4038427a07f754f92a8c5f386c6af
Hybrid bisindole-thiosemicarbazides analogs (1–18) were synthesized and screened for β-glucuronidase activity. All compounds showed varied degree of β-glucuronidase inhibitory potential when compared with standard D-saccharic acid 1,4-lactone (IC50 = 48.4 ± 1.25 μM). Compounds 4, 7, 9, 6, 5, 12, 17 and 18 showed exceptional β-glucuronidase inhibition with IC50 values ranging from 0.1 to 5.7 μM. Compounds 1, 3, 8, 16, 13, 2 and 14 also showed better activities than standard with IC50 values ranging from 7.12 to 15.0 μM. The remaining compounds 10, 11, and 15 showed good inhibitory potential with IC50 values 33.2 ± 0.75, 21.4 ± 0.30 and 28.12 ± 0.25 μM respectively. Molecular docking studies were carried out to confirm the binding interaction of the compounds. © 2016 Elsevier Inc.
Academic Press Inc.
452068
English
Article
author Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Khan H.; Ullah H.; Salar U.; Khan K.M.
spellingShingle Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Khan H.; Ullah H.; Salar U.; Khan K.M.
Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
author_facet Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Khan H.; Ullah H.; Salar U.; Khan K.M.
author_sort Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Khan H.; Ullah H.; Salar U.; Khan K.M.
title Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
title_short Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
title_full Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
title_fullStr Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
title_full_unstemmed Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
title_sort Synthesis, β-glucuronidase inhibition and molecular docking studies of hybrid bisindole-thiosemicarbazides analogs
publishDate 2016
container_title Bioorganic Chemistry
container_volume 68
container_issue
doi_str_mv 10.1016/j.bioorg.2016.07.008
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-84978872852&doi=10.1016%2fj.bioorg.2016.07.008&partnerID=40&md5=f8a4038427a07f754f92a8c5f386c6af
description Hybrid bisindole-thiosemicarbazides analogs (1–18) were synthesized and screened for β-glucuronidase activity. All compounds showed varied degree of β-glucuronidase inhibitory potential when compared with standard D-saccharic acid 1,4-lactone (IC50 = 48.4 ± 1.25 μM). Compounds 4, 7, 9, 6, 5, 12, 17 and 18 showed exceptional β-glucuronidase inhibition with IC50 values ranging from 0.1 to 5.7 μM. Compounds 1, 3, 8, 16, 13, 2 and 14 also showed better activities than standard with IC50 values ranging from 7.12 to 15.0 μM. The remaining compounds 10, 11, and 15 showed good inhibitory potential with IC50 values 33.2 ± 0.75, 21.4 ± 0.30 and 28.12 ± 0.25 μM respectively. Molecular docking studies were carried out to confirm the binding interaction of the compounds. © 2016 Elsevier Inc.
publisher Academic Press Inc.
issn 452068
language English
format Article
accesstype
record_format scopus
collection Scopus
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