Hit-based drug discovery on VEGFR-2 inhibitors
Title: |
Hit-based drug discovery on VEGFR-2 inhibitors |
DNr: |
SNIC 2022/22-611 |
Project Type: |
SNIC Small Compute |
Principal Investigator: |
Federico Riu <federico.riu@kemi.uu.se> |
Affiliation: |
Uppsala universitet |
Duration: |
2022-06-07 – 2023-07-01 |
Classification: |
10603 |
Keywords: |
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Abstract
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.