Bioorganic Chemistry p. 19 - 26 (2018)
Update date:2022-08-03
Topics:
Qazi, Syeda Uroos
Rahman, Shafiq Ur
Awan, Asia Naz
al-Rashida, Mariya
Alharthy, Rima D.
Asari, Asnuzilawati
Hameed, Abdul
Iqbal, Jamshed
A series of hydrazinecarboxamide derivatives were synthesized and examined against urease for their inhibitory activity. Among the series, the 1-(3-fluorobenzylidene)semicarbazide (4a) (IC50 = 0.52 ± 0.45 μM), 4u (IC50 = 1.23 ± 0.32 μM) and 4h (IC50 = 2.22 ± 0.32 μM) were found most potent. Furthermore, the molecular docking study was also performed to demonstrate the binding mode of the active hydrazinecarboxamide with the enzyme, urease. In order to estimate drug likeness of compounds, in silico ADME evaluation was carried out. All compounds exhibited favorable ADME profiles with good predicted oral bioavailability.
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(2018)