| KEYWORD |
Computational search for putative inhibitors of MAP-tau hyperphosphorylation in Alzheimer disease
Parole chiave ALZHEIMER'S DISEASE, COMPUTATIONAL DRUG DESIGN, HYPERPHOSPHORYLATION, MAP TAU, TUBULIN
Riferimenti JACEK ADAM TUSZYNSKI
Gruppi di ricerca 28- biomedica
Tipo tesi COMPUTATIONAL
Descrizione One of the main molecular hallmarks of the Alzheimer disease is hyperphosphorylation of the microtubule-associated protein MAP-tau. This causes neurofibrillary tangles in the brains of Alzheimer disease patients and a gradual deterioration of neuronal cytoskeleton. In a previous project we have created computational models of tubulin-MAP tau interactions. Phosphorylation of MAP tau involves a number of enzymes, each of which is associated with a different residue in MAP tau. This project will investigate the existing crystal structures of these enzymes and analyze their interactions with known inhibitors. If no inhibitors are found for some of the key enzymes, we will perform virtual screening to find candidate molecules. If they are found, we will study their interactions with other protein targets and attempt to improve their specificity and selectivity by molecular design techniques.
Conoscenze richieste molecular modeling, mainly docking and visualization techniques
basic bioinformatics and chemo-informatics
Scadenza validita proposta 24/11/2023
PROPONI LA TUA CANDIDATURA