| KEYWORD |
28- biomedica
Search for alpha-tubulin inhibitors and their binding sites
Parole chiave ALPHA TUBULIN, BINDING ENERGY, DOCKING, LIGAND BINDING, TUBULIN
Riferimenti MARCO AGOSTINO DERIU, JACEK ADAM TUSZYNSKI
Gruppi di ricerca 28- biomedica
Tipo tesi COMPUTATIONAL
Descrizione Much is known about inhibitors of beta tubulin because this has been a traditional target for chemotherapy drug design. Much less is known about its partner isoform of tubulin, the alpha tubulin isotype. In this project, the student will search for confirm and putative inhibitors of alpha tubulin using both the existing literature and similarity searches.From docking of these compounds to the crystallographically-determined structure of alpha tubulin, their binding sites will be determined and binding affinities estimated. Finally,using bioinformatic analysis, similarities and differences between alpha tubulin and especially its binding sites will be found by comparing plant amino acid sequences to those for key mammalian species.
Conoscenze richieste basic bioinformatics, docking, familiarity with MOE
Scadenza validita proposta 13/05/2025
PROPONI LA TUA CANDIDATURA