Synthesis of 2-acylated and sulfonated 4-hydroxycoumarins: In vitro urease inhibition and molecular docking studies
Sixteen 4-hydroxycoumarin derivatives were synthesized, characterized through EI-MS and 1H NMR and screened for urease inhibitory potential. Three compounds exhibited better urease inhibition than the standard inhibitor thiourea (IC50 = 21 ± 0.11 μM) while other four compounds exhibited good to mode...
| Published in: | Bioorganic Chemistry |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Academic Press Inc.
2016
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84964603375&doi=10.1016%2fj.bioorg.2016.04.005&partnerID=40&md5=bb0716aef0a0dcb3380dd417b648b584 |
| Summary: | Sixteen 4-hydroxycoumarin derivatives were synthesized, characterized through EI-MS and 1H NMR and screened for urease inhibitory potential. Three compounds exhibited better urease inhibition than the standard inhibitor thiourea (IC50 = 21 ± 0.11 μM) while other four compounds exhibited good to moderate inhibition with IC50 values between 29.45 ± 1.1 μM and 69.53 ± 0.9 μM. Structure activity relationship was established on the basis of molecular docking studies, which helped to predict the binding interactions of the most active compounds. © 2016 Elsevier Inc. All rights reserved. |
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| ISSN: | 452068 |
| DOI: | 10.1016/j.bioorg.2016.04.005 |