Uncovering molecular determinants of potency and binding affinity in hit compounds targeting FGF14/Nav1.6 complex.

ABSTRACT: Identifying molecular mechanisms that regulate neuronal excitability is essential for developing targeted therapies for neuropsychiatric disorders. The protein-protein interaction (PPI) between fibroblast growth factor 14 (FGF14) and the voltage-gated Na⁺ channel Nav1.6 is critical in regulating neuronal excitability and has emerged as a promising drug target. However, the physicochemical features that drive small-molecule modulation of this interface remain elusive. Here, we apply a descriptor-based chemoinformatics approach to analyze 15 hit compounds identified via high-throughput screening, aiming to elucidate structure-activity relationships influencing their potency and binding affinity. The analysis revealed distinct subsets of physicochemical features strongly associated

SUBMITTER: Teimouri H 

PROVIDER: S-EPMC12690839 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature