Structure-based identification of potent fibroblast growth factor receptor 4 (FGFR4) inhibitors as potential therapeutics for hepatocellular carcinoma.

ABSTRACT: Fibroblast growth factor receptor 4 (FGFR4), a member of the fibroblast growth factor receptor family, plays a crucial role in cell growth, differentiation, and tissue repair. Increased FGFR4 expression has been detected in various cancers, including lung, liver, kidney and pancreatic cancer, making it a potential drug target. In this study, we conducted a structure-based virtual screening campaign to identify potential FGFR4 inhibitors. The retained compounds were further filtered based on pan assay interference compounds (PAINS) and absorption, distribution, metabolism, excretion, and toxicity (ADME/T) properties, leading to the identification of two promising candidates: MFCD00832235 and MFCD00204244. Quantum mechanical (QM) calculations revealed a large Highest Occupied Molecular Orbit

SUBMITTER: Fan L 

PROVIDER: S-EPMC12182054 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature