European Journal of Organic Chemistry 2018-03-15

Design, Synthesis and preliminary biological evaluation of GlcNAc‐6P Analogues for the Modulation of Phosphoacetylglucosamine Mutase 1 (AGM1/PGM3)

Barbara La Ferla; Alice Paiotta; Giuseppe D'Orazio; Roberta Palorini; Francesca Ricciardiello; Luca Zoia; Giuseppina Votta; Luca De Gioia; Ferdinando Chiaradonna

Index: 10.1002/ejoc.201800183

Full Text: HTML

Abstract

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