Synthesis,biological evaluation,and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase/phosphodiesterase (NPP) inhibitors |
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| Authors: | Mohammad H Semreen Mohammed I El-Gamal Saif Ullah Saquib Jalil Sumera Zaib Hanan S Anbar Joanna Lecka Jean Sévigny Jamshed Iqbal |
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| Institution: | 1. Department of Medicinal Chemistry, College of Pharmacy, University of Sharjah, Sharjah 27272, United Arab Emirates;2. Sharjah Institute for Medical Research, University of Sharjah, Sharjah 27272, United Arab Emirates;3. Faculty of Pharmacy, University of Mansoura, Mansoura 35516, Egypt;4. Centre for Advanced Drug Research, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan;5. Département de microbiologie-infectiologie et d''immunologie, Faculté de Médecine, Université Laval, Québec, QC G1V 0A6, Canada;6. Centre de Recherche du CHU de Québec – Université Laval, Québec, QC G1V 4G2, Canada |
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| Abstract: | A new series of sulfonate derivatives 1a–zk were synthesized and evaluated as inhibitors of nucleotide pyrophosphatases. Most of the compounds exhibited good to moderate inhibition towards NPP1, NPP2, and NPP3 isozymes. Compound 1m was a potent and selective inhibitor of NPP1 with an IC50 value of 0.387 ± 0.007 µM. However, the most potent inhibitor of NPP3 was found as 1x with an IC50 value of 0.214 ± 0.012 µM. In addition, compound 1e was the most active inhibitor of NPP2 with an IC50 value of 0.659 ± 0.007 µM. Docking studies of the most potent compounds were carried out, and the computational results supported the in vitro results. |
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| Keywords: | Corresponding authors at: Department of Medicinal Chemistry College of Pharmacy University of Sharjah Sharjah 27272 United Arab Emirates (M I El-Gamal) Homology modeling Immune modulation Molecular docking Nucleotide pyrophosphatase Sulfonate |
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