Synthesis and in vitro urease inhibitory activity of benzohydrazide derivatives, in silico and kinetic studies.
Bioorg Chem
; 82: 163-177, 2019 02.
Article
en En
| MEDLINE
| ID: mdl-30321779
Benzohydrazide derivatives 1-43 were synthesized via "one-pot" reaction and structural characterization of these synthetic derivatives was carried out by different spectroscopic techniques such as 1H NMR and EI-MS. The synthetic molecules were evaluated for their in vitro urease inhibitory activity. All synthetic derivatives showed good inhibitory activities in the range of (IC50â¯=â¯0.87⯱â¯0.31-19.0⯱â¯0.25⯵M) as compared to the standard thiourea (IC50â¯=â¯21.25⯱â¯0.15⯵M), except seven compounds 17, 18, 23, 24, 29, 30, and 41 which were found to be inactive. The most active compound of the series was compound 36 (IC50â¯=â¯0.87⯱â¯0.31⯵M) having two chloro groups at meta positions of ring A and methoxy group at para position of ring B. The structure-activity relationship (SAR) of the active compounds was established on the basis of different substituents and their positions in the molecules. Kinetic studies of the active compounds revealed that compounds can inhibit enzyme via competitive and noncompetitive modes. In silico study was also performed to understand the binding interactions of the molecules (ligand) with the active site of enzyme.
Palabras clave
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Ureasa
/
Inhibidores Enzimáticos
/
Hidrazinas
Idioma:
En
Revista:
Bioorg Chem
Año:
2019
Tipo del documento:
Article
País de afiliación:
Pakistán
Pais de publicación:
Estados Unidos