Ligand-based pharmacophore modeling and molecular dynamics driven discovery of novel MEK1 inhibitors targeting KRAS signalling pathway.
The KRAS oncogene, which plays a crucial role in numerous human malignancies, remains a significant challenge. It is amongst the most mutated oncogenes within human cancers, specifically in pancreatic, colorectal, and non-small cell lung cancers, where it is a key driver of cancer initiation and growth. Despite its imp...