Preparation, characterization, antioxidant activity of 1-(2-furoyl) thiourea derivatives and study the molecular docking of them as potent inhibitors of Urease enzyme
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Published:2023-06-20
Issue:3(Suppl.)
Volume:20
Page:0994
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ISSN:2411-7986
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Container-title:Baghdad Science Journal
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language:
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Short-container-title:Baghdad Sci.J
Author:
Al-Jeilawi Oday H. R.ORCID,
Oleiwi Abdullah QaysORCID
Abstract
In this work, we synthesized thirteen compounds of 1-(2-furoyl)thiourea derivatives 1-13 by conversion of 2-furoyl chloride to 2-furoyl isothiocyanate by reacting it with potassium thiocyanate in dry acetone in a quite short reflux time then, in the same pot, different of (primary and secondary amines) were added individually to achieve thiourea derivatives. The products were characterized spectroscopically using (FT-IR, 1H NMR and 13C NMR) techniques. Some of them were evaluated as antioxidant agents using DPPH radical scavenging method, and all were examined theoretically as enzyme inhibitors against Bacillus pasteurii urease (pdb id: 4ubp) and by studying molecular docking using Autodock (4.2.6) software.
Publisher
College of Science for Women
Subject
General Physics and Astronomy,Agricultural and Biological Sciences (miscellaneous),General Biochemistry, Genetics and Molecular Biology,General Mathematics,General Chemistry,General Computer Science