1,4-Dideoxy-1,4-imino-<scp>d</scp>- and<scp>l</scp>-lyxitol-based inhibitors bind to Golgi α-mannosidase II in different protonation forms
Juraj Kóňa, Sergej Šesták, Iain B. H. Wilson, Monika Poláková
Abstract
A binding mechanism of selective inhibitors of Golgi α-mannosidase II was elucidated by p K a and FMO-PIEDA calculations. Synthetic N -substituted imino- d -lyxitol inhibitors were evaluated with four enzymes from the glycoside hydrolase GH38 family.
Topics & Concepts
ChemistryProtonationStereochemistryMannosidaseEnzymeActive siteAmino acidDocking (animal)PyrrolidineBinding siteBiochemistryOrganic chemistryNursingMedicineIonCarbohydrate Chemistry and SynthesisPineapple and bromelain studiesBiochemical and Structural Characterization