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Updated: Jun 30, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
Published on: December 25, 2021
Tuning Active Site Electron Density for Enhanced Molecular Recognition and Catalysis
1Department of Chemistry, Iowa State University, Ames, Iowa 50011-3111, United States.
Abstract:
Enzymes have an extraordinary ability to utilize aromatic interactions for molecular recognition and catalysis. We here report molecularly imprinted nanoparticle receptors. The aromatic "wall" material in the imprinted binding site is used to enhance the molecular recognition of aromatic guests that have similar charges, shapes, and sizes but differ in π-electron density. Additionally, aromatic interactions are employed to activate an electron-rich aryl leaving group on a glycoside, mimicking the nucleoside hydrolase of the parasite Trypanosoma vivax.
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