Next Article in Journal
Synthesis of Novel Homo-N-Nucleoside Analogs Composed of a Homo-1,4-Dioxane Sugar Analog and Substituted 1,3,5-Triazine Base Equivalents
Previous Article in Journal
Effects of Two Terpene Alcohols on the Antibacterial Activity and the Mode of Action of Farnesol against Staphylococcus aureus

Computational Insights on Sulfonamide Imprinted Polymers

Department of Clinical Microbiology, Faculty of Medical Technology, Mahidol University, Bangkok 10700, Thailand
Pure and Applied Biochemistry, Chemical Center, Lund University, Box 124, 22100 Lund, Sweden
Author to whom correspondence should be addressed.
Received: 1 November 2008 / Revised: 20 November 2008 / Accepted: 8 December 2008 / Published: 10 December 2008
Molecular imprinting is one of the most efficient methods for preparing synthetic receptors that possess user defined recognition properties. Despite general success of non-covalent imprinting for a large variety of templates, some groups of compounds remain difficult to tackle due to their structural complexity. In this study we investigate preparation of molecularly imprinted polymers that can bind sulfonamide compounds, which represent important drug candidates. Compared to the biological system that utilizes metal coordinated interaction, the imprinted polymer provided pronounced selectivity when hydrogen bond interaction was employed in an organic solvent. Computer simulation of the interaction between the sulfonamide template and functional monomers pointed out that although methacrylic acid had strong interaction energy with the template, it also possessed high non-specific interaction with the solvent molecules of tetrahydrofuran as well as being prone to self-complexation. On the other hand, 1-vinyl-imidazole was suitable for imprinting sulfonamides as it did not cross-react with the solvent molecules or engage in self-complexation structures. View Full-Text
Keywords: Molecular imprinting; Molecularly Imprinted polymer; Sulfonamide; Molecular modeling Molecular imprinting; Molecularly Imprinted polymer; Sulfonamide; Molecular modeling
Show Figures

Figure 1

MDPI and ACS Style

Isarankura-Na-Ayudhya, C.; Nantasenamat, C.; Buraparuangsang, P.; Piacham, T.; Ye, L.; Bülow, L.; Prachayasittikul, V. Computational Insights on Sulfonamide Imprinted Polymers. Molecules 2008, 13, 3077-3091.

AMA Style

Isarankura-Na-Ayudhya C, Nantasenamat C, Buraparuangsang P, Piacham T, Ye L, Bülow L, Prachayasittikul V. Computational Insights on Sulfonamide Imprinted Polymers. Molecules. 2008; 13(12):3077-3091.

Chicago/Turabian Style

Isarankura-Na-Ayudhya, Chartchalerm, Chanin Nantasenamat, Prasit Buraparuangsang, Theeraphon Piacham, Lei Ye, Leif Bülow, and Virapong Prachayasittikul. 2008. "Computational Insights on Sulfonamide Imprinted Polymers" Molecules 13, no. 12: 3077-3091.

Find Other Styles

Article Access Map by Country/Region

Only visits after 24 November 2015 are recorded.
Back to TopTop