(Royal Society Open Science, 2024-02) Vaaland, I. Caroline; Christensen, Idd Andrea; Pejov, Ljupcho; Morén, Monika; Westlund, Nikolai; Santos Evangelista, Tereza C.; Sydnes, Magne O.; Aachmann, Finn L.; López López, Óscar; Lindbäck, Emil; Universidad de Sevilla. Departamento de Química Inorgánica; Ministerio de Ciencia, Innovación y Universidades (MICINN). España; Agencia Estatal de Investigación. España; Junta de Andalucía
The synthesis of an isofagomine analogue with an amidine group in the 1,6-position is described. Density functional theory calculations showed that this compound has a remarkably different charge distribution compared with isofagomine. This may explain why the amidine is a poor glycosidase inhibitor (IC50 > 50 µM against all tested enzymes) compared with isofagomine.
