Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors
Ben Chetter, E. Kyriakis, Daniel Barr, Aikaterini G. Karra, Elisabeth Katsidou, Symeon M. Koulas, Vassiliki T. Skamnaki, Timothy J. Snape, Anna‐Maria G. Psarra, D.D. Leonidas, Joseph M. Hayes
Topics & Concepts
ChemistryFlavonoidIn vitroGlycogen phosphorylaseKineticsBiochemistryEx vivoGlycogen synthaseIn vivoQM/MMEnzymeStereochemistryCatalysisAntioxidantQuantum mechanicsBiotechnologyPhysicsBiologyCarbohydrate Chemistry and SynthesisChemical Synthesis and AnalysisGlycosylation and Glycoproteins Research