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Semicarbazone derivatives as urease inhibitors: Synthesis, biological evaluation, molecular docking studies and in-silico ADME evaluation by Syeda Uroos Qazi; Shafiq Ur Rahman; Asia Naz Awan; Mariya al-Rashida; Rima D. Alharthy; Asnuzilawati Asari; Abdul Hameed; Jamshed Iqbal is a Chemistry article available to read on EtoBox.

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A series of hydrazinecarboxamide derivatives were synthesized and examined against urease for their inhibitory activity. Among the series, the 1-(3-fluorobenzylidene)semicarbazide (4a) (IC = 0.52 ± 0.45 μM), 4u (IC = 1.23 ± 0.32 μM) and 4h (IC = 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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Author

Syeda Uroos Qazi; Shafiq Ur Rahman; Asia Naz Awan; Mariya al-Rashida; Rima D. Alharthy; Asnuzilawati Asari; Abdul Hameed; Jamshed Iqbal

Published

2018

Language

EN

Field

Chemistry (Physical Sciences)