We have recently developed a new synthetic methodology that provided both N-aryl-5-hydroxytriazolesand N-pyridine-4-alkyl triazoles. A selection of these products was carried through virtual screeningtowards targets that are contemporary and validated for drug discovery and development. This studydetermined a number of potential structure target dyads of which N-pyridinium-4-carboxylic-5-alkyl triazoledisplayed the highest score specificity towards KAT2A. Binding affinity tests of abovementioned triazoleand related analogs towards KAT2A confirmed the predictions of the in-silico assay. Finally, we haverun in vitro inhibition assays of selected triazoles towards KAT2A; the ensemble of binding and inhibitionassays delivered pyridyl-triazoles carboxylates as the prototype of a new class of inhibitors of KAT2A.
Discovery of a new class of triazole based inhibitors of acetyl transferase KAT2A
Del Gaudio, Nunzio;
2022-01-01
Abstract
We have recently developed a new synthetic methodology that provided both N-aryl-5-hydroxytriazolesand N-pyridine-4-alkyl triazoles. A selection of these products was carried through virtual screeningtowards targets that are contemporary and validated for drug discovery and development. This studydetermined a number of potential structure target dyads of which N-pyridinium-4-carboxylic-5-alkyl triazoledisplayed the highest score specificity towards KAT2A. Binding affinity tests of abovementioned triazoleand related analogs towards KAT2A confirmed the predictions of the in-silico assay. Finally, we haverun in vitro inhibition assays of selected triazoles towards KAT2A; the ensemble of binding and inhibitionassays delivered pyridyl-triazoles carboxylates as the prototype of a new class of inhibitors of KAT2A.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
