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Novel N,N-Dimethylbarbituric-Pyridinium Derivatives As Potent Urease Inhibitors: Synthesis, in Vitro, and in Silico Studies Publisher Pubmed



Biglar M1 ; Mirzazadeh R2 ; Asadi M3 ; Sepehri S4 ; Valizadeh Y1 ; Sarrafi Y5 ; Amanlou M3 ; Larijani B1 ; Mohammadikhanaposhtani M6 ; Mahdavi M1
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Authors Affiliations
  1. 1. Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran
  2. 2. Department of Biochemistry, Pasteur Institute of Iran, Tehran, Iran
  3. 3. Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences, Research Center, Tehran University of Medical Sciences, Tehran, Iran
  4. 4. Department of Medicinal Chemistry, School of Pharmacy, Ardabil University of Medical Sciences, Ardabil, Iran
  5. 5. Faculty of Chemistry, University of Mazandaran, Babolsar, Iran
  6. 6. Cellular and Molecular Biology Research Center, Health Research Institute, Babol University of Medical Sciences, Babol, Iran

Source: Bioorganic Chemistry Published:2020


Abstract

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 drug-likeness properties of the synthesized compounds, based on Lipinski rule and other filters, were evaluated. © 2019
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