Discovery of Surface-Engineered Nanoparticles That Boost Enzyme Activity via High-Throughput Screening and Machine Learning.

ABSTRACT: Nanoparticles (NPs) are known to enhance the activity of enzymes, but such findings remain largely empirical, lacking predictive design principles. Here, the first high-throughput platform for the discovery of surface-engineered nanoparticles (SENs) that modulate enzyme function is introduced. Guided by the hypothesis that surface ligands are primary drivers of activity enhancement, a library of 194 gold- and palladium-based SENs functionalized with diverse peptide ligands is synthesized. These SENs are screened against three model enzymes: cytochrome c, lactoperoxidase (LPO), and lipase. Multiple SENs substantially increased enzymatic activity, with the most effective achieving ≈19-fold increase. The resulting dataset enabled the training of a machine learning model that identified key li

SUBMITTER: Sun Y 

PROVIDER: S-EPMC12508721 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature