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Synthesis, in vitro urease inhibitory potential and molecular docking study of Benzimidazole analogues.
- Source :
-
Bioorganic chemistry [Bioorg Chem] 2019 Aug; Vol. 89, pp. 103024. Date of Electronic Publication: 2019 May 31. - Publication Year :
- 2019
-
Abstract
- Despite of many diverse biological activities exhibited by benzimidazole scaffold, it is rarely explored for the urease inhibitory potential. For that purpose, benzimidazole analogues 1-19 were synthesized and screened for in vitro urease inhibitory potential. Structures of all synthetic analogues were deduced by different spectroscopic techniques. All analogues revealed inhibition potential with IC <subscript>50</subscript> values of 0.90 ± 0.01 to 35.20 ± 1.10 μM, when compared with the standard thiourea (IC <subscript>50</subscript> = 21.40 ± 0.21 μM). Limited SAR suggested that the variations in the inhibitory potentials of the analogues are the result of different substitutions on phenyl ring. In order to rationalize the binding interactions of most active compounds with the active site of urease enzyme, molecular docking study was conducted.<br /> (Copyright © 2019 Elsevier Inc. All rights reserved.)
- Subjects :
- Benzimidazoles chemical synthesis
Benzimidazoles chemistry
Dose-Response Relationship, Drug
Enzyme Inhibitors chemical synthesis
Enzyme Inhibitors chemistry
Molecular Structure
Structure-Activity Relationship
Urease metabolism
Benzimidazoles pharmacology
Enzyme Inhibitors pharmacology
Molecular Docking Simulation
Urease antagonists & inhibitors
Subjects
Details
- Language :
- English
- ISSN :
- 1090-2120
- Volume :
- 89
- Database :
- MEDLINE
- Journal :
- Bioorganic chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 31176853
- Full Text :
- https://doi.org/10.1016/j.bioorg.2019.103024