A library of GlcNAc 6- or 1-phosphate analogues was designed, and each compound was evaluated computationally through docking studies for its binding affinity to AGM1/PGM3. The compounds with the highest binding affinity, as ranked through a docking score, were synthesised and screened for their ability to inhibit the production of UDP-GlcNAc. A glycofused oxazoline analogue showed good inhibition, and gave significant results in vitro.

Paiotta, A., D'Orazio, G., Palorini, R., Ricciardiello, F., Zoia, L., Votta, G., et al. (2018). Design, Synthesis, and Preliminary Biological Evaluation of GlcNAc-6P Analogues for the Modulation of Phosphoacetylglucosamine Mutase 1 (AGM1/PGM3). EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2018(17), 1946-1952 [10.1002/ejoc.201800183].

Design, Synthesis, and Preliminary Biological Evaluation of GlcNAc-6P Analogues for the Modulation of Phosphoacetylglucosamine Mutase 1 (AGM1/PGM3)

PAIOTTA, ALICE;D'Orazio, G;Palorini, R;Ricciardiello, F;Zoia, L;Votta, G;De Gioia, L;Chiaradonna, F;La Ferla, B
2018

Abstract

A library of GlcNAc 6- or 1-phosphate analogues was designed, and each compound was evaluated computationally through docking studies for its binding affinity to AGM1/PGM3. The compounds with the highest binding affinity, as ranked through a docking score, were synthesised and screened for their ability to inhibit the production of UDP-GlcNAc. A glycofused oxazoline analogue showed good inhibition, and gave significant results in vitro.
Articolo in rivista - Articolo scientifico
Carbohydrates; Computational chemistry; Drug design; Enzymes; Glycomimetics; Inhibitors;
Glycomimetics, enzymatic inhibitors, AGM1, docking, antitumor drugs
English
2018
2018
17
1946
1952
none
Paiotta, A., D'Orazio, G., Palorini, R., Ricciardiello, F., Zoia, L., Votta, G., et al. (2018). Design, Synthesis, and Preliminary Biological Evaluation of GlcNAc-6P Analogues for the Modulation of Phosphoacetylglucosamine Mutase 1 (AGM1/PGM3). EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2018(17), 1946-1952 [10.1002/ejoc.201800183].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/191683
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