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Title
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Novel N,N-dimethylbarbituric-pyridinium derivatives as potent urease inhibitors: Synthesis, in vitro, and in silico studies
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Type
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JournalPaper
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Keywords
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Urease inhibitor; N,N-dimethylbarbituric; Molecular docking; Barbituric acid; Helicobacter pylori
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Abstract
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A new series of N,N-dimethylbarbituric-pyridinium derivatives 7a-n was synthesized and evaluated as Helicobacter pylori urease inhibitors. All the synthesized compounds (IC50 = 10.37 ± 1.0–77.52 ± 2.7 μM) were more potent than standard inhibitor hydroxyurea against urease (IC50 = 100.00 ± 0.2 μM). Furthermore, comparison of IC50 values of the synthesized compounds with the second standard inhibitor thiourea (IC50 = 22.0 ± 0.03 µM) revealed that compounds 7a-b and 7f-h were more potent than thiourea. Molecular modeling study of the most potent compounds 7a, 7b, 7f, and 7g was also conducted. Additionally, the druglikeness properties of the synthesized compounds, based on Lipinski rule and other filters, were evaluated.
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Researchers
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mohammad mahdavi (Not In First Six Researchers), Yaghoub Sarrafi (Not In First Six Researchers), Roghieh Mirzazadeh (Second Researcher), Yousef Valizadeh (Fifth Researcher), Saghi Sepehri (Fourth Researcher), Mehdi Asadi (Third Researcher), Massoud Amanlou (Not In First Six Researchers), Maryam Mohammadi-Khanaposhtani (Not In First Six Researchers), Bagher Larijani (Not In First Six Researchers), Mahmood Biglari (First Researcher)
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