Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies
Benzothiazole analogs (1-20) have been synthesized, characterized by EI-MS and 1H NMR, and evaluated for urease inhibition activity. All compounds showed excellent urease inhibitory potential varying from 1.4 ± 0.10 to 34.43 ± 2.10 μM when compared with standard thiourea (IC50 19.46 ± 1.20 μM). Amon...
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2016
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2-s2.0-84962360234 Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M. Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies 2016 Bioorganic Chemistry 66 10.1016/j.bioorg.2016.03.010 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84962360234&doi=10.1016%2fj.bioorg.2016.03.010&partnerID=40&md5=522911c76a6838509bcc4bf8327819dc Benzothiazole analogs (1-20) have been synthesized, characterized by EI-MS and 1H NMR, and evaluated for urease inhibition activity. All compounds showed excellent urease inhibitory potential varying from 1.4 ± 0.10 to 34.43 ± 2.10 μM when compared with standard thiourea (IC50 19.46 ± 1.20 μM). Among the series seventeen (17) analogs 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 16, 17, and 18 showed outstanding urease inhibitory potential. Analogs 15 and 19 also showed good urease inhibition activity. When we compare the activity of N-phenylthiourea 20 with all substituted phenyl derivatives (1-18) we found that compound 15 showed less activity than compound 20 having 3-methoxy substituent. The binding interactions of these active analogs were confirmed through molecular docking. © 2016 Elsevier Inc. All rights reserved. Academic Press Inc. 00452068 English Article |
author |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M. |
spellingShingle |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M. Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
author_facet |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M. |
author_sort |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M. |
title |
Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
title_short |
Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
title_full |
Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
title_fullStr |
Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
title_full_unstemmed |
Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
title_sort |
Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
publishDate |
2016 |
container_title |
Bioorganic Chemistry |
container_volume |
66 |
container_issue |
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doi_str_mv |
10.1016/j.bioorg.2016.03.010 |
url |
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84962360234&doi=10.1016%2fj.bioorg.2016.03.010&partnerID=40&md5=522911c76a6838509bcc4bf8327819dc |
description |
Benzothiazole analogs (1-20) have been synthesized, characterized by EI-MS and 1H NMR, and evaluated for urease inhibition activity. All compounds showed excellent urease inhibitory potential varying from 1.4 ± 0.10 to 34.43 ± 2.10 μM when compared with standard thiourea (IC50 19.46 ± 1.20 μM). Among the series seventeen (17) analogs 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 16, 17, and 18 showed outstanding urease inhibitory potential. Analogs 15 and 19 also showed good urease inhibition activity. When we compare the activity of N-phenylthiourea 20 with all substituted phenyl derivatives (1-18) we found that compound 15 showed less activity than compound 20 having 3-methoxy substituent. The binding interactions of these active analogs were confirmed through molecular docking. © 2016 Elsevier Inc. All rights reserved. |
publisher |
Academic Press Inc. |
issn |
00452068 |
language |
English |
format |
Article |
accesstype |
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record_format |
scopus |
collection |
Scopus |
_version_ |
1820775473876041728 |