In silico modeling of the structure of pyruvate dehydrogenase kinase 1 (PDK1) and search for metabolic modulators as a novel cancer therapy
Parole chiave COMPUTATIONAL MODELING
Gruppi di ricerca 28- biomedica
Tipo tesi M.SC.
Descrizione There are numerous groups of cancer chemotherapy agents but they are almost always associated with serious side effects. Almost a hundred years ago, a Nobel Prize winning chemist, Otto von Warburg, hypothesized that cancer is mainly driven by metabolic dysregulation. There is ample evidence that he was right but still there is no successful pharmacological intervention available targeting metabolic modulation as a cancer therapy. This project, in collaboration with colleagues in Illinois, USA, will search for compounds, analogous to DCA, which can upregulate oxidative phosphorylation by binding to pyruvate dehydrogenase kinase 1 (PDK1) whose structure is known. We also have some potential inhibitors already identified but a more detailed computational analysis is needed.
Conoscenze richieste Molecular dynamics, homology modeling and docking are necessary computational skills to achieve the goals of the project.
Scadenza validita proposta 21/10/2020 PROPONI LA TUA CANDIDATURA