Hit-based drug discovery on VEGFR-2 inhibitors
||Hit-based drug discovery on VEGFR-2 inhibitors|
||SNIC Small Compute|
||Federico Riu <email@example.com>|
||2022-06-07 – 2023-07-01|
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.