Molecular modeling and experimental study on the interaction between quercetin and methacrylic acid

Abstract

Design of Molecular Imprinting Polymer (MIP) for solid phase extraction of quercetin has been done by pre-complexation study using molecular modeling and spectroscopy technique. Goal of the study is to determine the suitable ratio of quercetin:methacrylic acid as functional monomer. The molecular modeling was run on AM1 semiempirical level using HyperChem Software to analyse the interaction based on non covalent interactions study in the gas phase and isolated system. UV spectroscopic analysis of several pre complexation solution containing quercetin with varying of methacrylic acid. The result showed that a MIP suitable for quercetin could be produced on the mole ratio between quercetin and methacrylic acid at 1:4. This recommendation is based on the value of the binding energy to indicate the interaction that is enough to make a stable conformation. UV spectroscopy result also supports the similar ratio 1:4 to this interaction.