Benzylidine indane-1,3-diones: As novel urease inhibitors; synthesis, in vitro, and in silico studies.
Bioorg Chem
; 81: 658-671, 2018 12.
Article
em En
| MEDLINE
| ID: mdl-30253339
ABSTRACT
Current study deals with the evaluation of indane-1,3-dione based compounds as new class of urease inhibitors. For that purpose, benzylidine indane-1,3-diones (1-30) were synthesized and fully characterized by different spectroscopic techniques including EI-MS, HREI-MS, 1H, and 13C NMR. All synthetic molecules 1-30 were evaluated for urease inhibitory activity and showed good to moderate inhibitory potential within the range of (IC50â¯=â¯11.60⯱â¯0.3-257.05⯱â¯0.7⯵M) as compared to the standard acetohydroxamic acid (IC50â¯=â¯27.0⯱â¯0.5⯵M). Compound 1 (IC50â¯=â¯11.60⯱â¯0.3⯵M) was found to be most potent inhibitor amongst all derivatives. The key binding interactions of most active compounds within the enzyme pocket were evaluated through in silico studies.
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Assunto principal:
Bacillus
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Urease
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Compostos de Benzilideno
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Canavalia
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Inibidores Enzimáticos
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Indanos
Idioma:
En
Ano de publicação:
2018
Tipo de documento:
Article