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Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors.

Abstract：

:Urease is an important enzyme which breaks urea into ammonia and carbon dioxide during metabolic processes. However, an elevated activity of urease causes various complications of clinical importance. The inhibition of urease activity with small molecules as inhibitors is an effective strategy for therapeutic intervention. Herein, we have synthesized a series of 19 benzofurane linked N-phenyl semithiocarbazones (3a-3s). All the compounds were screened for enzyme inhibitor activity against Jack bean urease. The synthesized N-phenyl thiosemicarbazones had varying activity levels with IC50 values between 0.077 ± 0.001 and 24.04 ± 0.14 μM compared to standard inhibitor, thiourea (IC50 = 21 ± 0.11 μM). The activities of these compounds may be due to their close resemblance of thiourea. A docking study with Jack bean urease (PDB ID: 4H9M) revealed possible binding modes of N-phenyl thiosemicarbazones.

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

Hameed A,Khan KM,Zehra ST,Ahmed R,Shafiq Z,Bakht SM,Yaqub M,Hussain M,de la Vega de León A,Furtmann N,Bajorath J,Shad HA,Tahir MN,Iqbal J

doi

10.1016/j.bioorg.2015.06.004

subject

Has Abstract

pub_date

2015-08-01 00:00:00

pages

51-7

eissn

0045-2068

issn

1090-2120

pii

S0045-2068(15)30001-8

journal_volume

61

pub_type

杂志文章

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