Hit-based drug discovery on VEGFR-2 inhibitors
|Hit-based drug discovery on VEGFR-2 inhibitors
|NAISS Small Compute
|Federico Riu <firstname.lastname@example.org>
|2023-07-03 – 2024-08-01
This project focuses on molecular dynamics calculations for a hit-based drug discovery screening of a set of ligands that are supposed to have antitumor activity, acting as inhibitors of a tyrosine kinase protein, VEGFR2. We want to explore the ligand/protein interactions and compare them to the affinity of a marketed drug for the treatment of renal cell carcinoma (RCC), known to be an active VEGFR2 inhibitor.