Identification and Characterization of ERK2 Dimerization Inhibitors by Integrated In Silico and In Vitro Screening.

ABSTRACT: Protein-protein interactions (PPIs) take place in many cellular processes, including the activation of cellular cascades, such as the MAPK/ERK (Mitogen-Activated Protein Kinase/Extracellular-Regulated Kinase) pathway. Deregulation of these pathways leads to the development of diseases, such as cancer. DEL-22379 is an ERK2 dimerization inhibitor, which presents anti-tumoral effects, without affecting ERK2 phosphorylation. Our aim was to identify new therapeutic molecules targeting ERK2 dimerization, based on DEL-22379 structure. In this study, we implemented a combination of computational and experimental workflow, which includes in silico techniques, such as scaffold hopping and virtual screening to generate a dataset of candidate compounds, a native PAGE (PolyAcrylamide Gel Electrophoresi

SUBMITTER: Ortiz-Gonzalez C 

PROVIDER: S-EPMC12692606 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature