Sedaghati, S. and Azizian, H. and Montazer, M.N. and Mohammadi-Khanaposhtani, M. and Asadi, M. and Moradkhani, F. and Ardestani, M.S. and Asgari, M.S. and Yahya-Meymandi, A. and Biglar, M. and Larijani, B. and Sadat-Ebrahimi, S.E. and Foroumadi, A. and Amanlou, M. and Mahdavi, M. (2021) Novel (thio)barbituric-phenoxy-N-phenylacetamide derivatives as potent urease inhibitors: synthesis, in vitro urease inhibition, and in silico evaluations. Structural Chemistry, 32 (1). pp. 37-48.
Full text not available from this repository.Abstract
A novel series of (thio)barbituric-phenoxy-N-phenylacetamide derivatives 7a-l was synthesized and evaluated against Helicobacter pylori urease. The latter assay revealed that all the synthesized compounds 7a-l (IC50 = 0.69 ± 0.33�2.47 ± 0.23 μM) were significantly more potent than two used standard inhibitors, thiourea (IC50 = 23 ± 0.73 μM) and hydroxyurea (IC50 = 100 ± 1.7 μM). Docking study of the synthesized compounds demonstrated that these compounds as well fitted in the urease active site. Moreover, molecular dynamic study of the most potent compound 7d showed that this compound created important interactions with the active site flap residues, Cys592 and His593. Furthermore, in silico pharmacokinetic study predicted that all the synthesized compounds are drug-like. © 2020, Springer Science+Business Media, LLC, part of Springer Nature.
| Item Type: | Article |
|---|---|
| Additional Information: | cited By 0 |
| Subjects: | WJ Urogenital System QV Pharmacology |
| Depositing User: | eprints admin |
| Date Deposited: | 04 Apr 2021 04:04 |
| Last Modified: | 04 Apr 2021 04:04 |
| URI: | http://eprints.iums.ac.ir/id/eprint/33008 |
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