Developing a scaffold for urease inhibition based on benzothiazoles: Synthesis, docking analysis, and therapeutic potential.
benzothiazole
molecular docking
molecular dynamics simulation
structure-activity relationship (SAR)
urease inhibition
Journal
Archiv der Pharmazie
ISSN: 1521-4184
Titre abrégé: Arch Pharm (Weinheim)
Pays: Germany
ID NLM: 0330167
Informations de publication
Date de publication:
Dec 2021
Dec 2021
Historique:
revised:
01
09
2021
received:
27
05
2021
accepted:
04
09
2021
pubmed:
22
9
2021
medline:
3
3
2022
entrez:
21
9
2021
Statut:
ppublish
Résumé
The synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzothiazole derivatives are reported. The title compounds in the two series, namely, 2-({5-[(benzothiazol-2-ylthio)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-substituted-phenyl)ethan-1-one and 2-(benzothiazol-2-ylthio)-1-(4-substituted-phenyl)ethan-1-one oxime, were synthesized by the reaction of benzo[d]thiazole-2-thiol with different kinds of intermediates in several steps using both conventional and microwave techniques. All compounds were found to have an excellent degree of urease-inhibitory potential ranging between 16.16 ± 0.54 and 105.32 ± 2.10 µM when compared with the standard inhibitor acetohydroxamic acid with IC
Identifiants
pubmed: 34545964
doi: 10.1002/ardp.202100200
doi:
Substances chimiques
Benzothiazoles
0
Enzyme Inhibitors
0
Hydroxamic Acids
0
acetohydroxamic acid
4RZ82L2GY5
Urease
EC 3.5.1.5
Types de publication
Comparative Study
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2100200Informations de copyright
© 2021 Deutsche Pharmazeutische Gesellschaft.
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