Literature

Abstract

A series of 2,5-substituted-1,4-benzoquinone (1-6) were prepared and structurally characterized by elemental analysis, IR spectra, (1)H and (13)C NMR spectra, and single crystal X-ray determination. The urease inhibitory activities of the compounds against H. pylori urease were studied. Among the compounds, 2,5-bis(2-morpholin-4-ylethylamino)-[1,4]benzoquinone (2) shows the most effective activity with IC(50) value of 27.30 ± 2.17 μM. Docking simulation was performed to insert compound 2 into the crystal structure of H. pylori urease at the active site to determine the probable binding mode. As a result, compound 2 may be used as a potential urease inhibitor.

DOI： 10.1016/j.bmc.2012.07.002

Synthesis, biological evaluation, and molecular docking studies of 2,5-substituted-1,4-benzoquinone as novel urease inhibitors

Bioorganic & Medicinal Chemistry 2012.0

Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors

European Journal of Medicinal Chemistry 2011.0

Synthesis, molecular docking and biological evaluation of metronidazole derivatives as potent Helicobacter pylori urease inhibitors

Bioorganic & Medicinal Chemistry 2009.0

Synthesis and molecular docking study of some 5,6-dichloro-2-cyclopropyl-1 H -benzimidazole derivatives bearing triazole, oxadiazole, and imine functionalities as potent inhibitors of urease

Bioorganic & Medicinal Chemistry Letters 2017.0

The synthesis, structure and activity evaluation of pyrogallol and catechol derivatives as Helicobacter pylori urease inhibitors

European Journal of Medicinal Chemistry 2010.0

Developing potential Helicobacter pylori urease inhibitors from novel oxoindoline derivatives: Synthesis, biological evaluation and in silico study