| KEYWORD |
In silico modeling of the structure of pyruvate dehydrogenase kinase 1 (PDK1) and search for metabolic modulators as a novel cancer therapy
keywords COMPUTATIONAL MODELING
Reference persons MARCO AGOSTINO DERIU, JACEK ADAM TUSZYNSKI
Research Groups 28- biomedica
Thesis type M.SC.
Description 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.
Required skills Molecular dynamics, homology modeling and docking are necessary computational skills to achieve the goals of the project.
Deadline 21/10/2020
PROPONI LA TUA CANDIDATURA