| KEYWORD |
Area Engineering
Virtual Screening in Search of Inhibitors of UBR1 E3 Ligase
Reference persons MARCO AGOSTINO DERIU, JACEK ADAM TUSZYNSKI
External reference persons Prof. Richard Fahlman, Department of Biochemistry, University of Alberta, Canada
Research Groups 28- biomedica
Thesis type COMPUTATIONAL
Description A new strategy for chemotherapy-based treatment of various types of cancer is based on the design of PROTAC molecules, which are hybrid chemical structures aiming to degrade over-expressed proteins via ubiquitination pathways in cancer cells.
They consist of a warhead that binds to an over-expressed protein marked for degradation, a linker and a compound that binds to an E3 ligase enzyme. There are now new crystal structures of the UBR1 protein available from the Protein Data Bank (PDB) and we would like to perform virtual screening using the ZINC database to obtain putative inhibitors for testing in the lab of Prof. Fahlman in Canada. The project can start immediately and can be performed either in Italy or in Canada. The duration of this project will be 4-6 months.
Required skills basic knowledge of bioinformatics, familiarity with docking programs and protein visualization software
Deadline 21/12/2024
PROPONI LA TUA CANDIDATURA