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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Bibliographic Details
Published in:Bioorganic Chemistry
Main Author: Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M.
Format: Article
Language:English
Published: Academic Press Inc. 2016
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84962360234&doi=10.1016%2fj.bioorg.2016.03.010&partnerID=40&md5=522911c76a6838509bcc4bf8327819dc
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Summary: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.
ISSN:452068
DOI:10.1016/j.bioorg.2016.03.010