Computational Insights on Sulfonamide Imprinted Polymers
Isarankura-Na-Ayudhya, Chartchalerm ; Nantasenamat, Chanin ; Buraparuangsang, Prasit LU ; Piacham, Theeraphon LU ; Ye, Lei LU
; Bülow, Leif
LU
and Prachayasittikul, Virapong
(2008)
In Molecules
13(12).
p.3077-3091
- Abstract
- 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... (More)
- 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-vinylimidazole was suitable for imprinting sulfonamides as it did not cross-react with the solvent molecules or engage in self-complexation structures. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1376912
- author
- Isarankura-Na-Ayudhya, Chartchalerm
; Nantasenamat, Chanin
; Buraparuangsang, Prasit
LU
; Piacham, Theeraphon
LU
; Ye, Lei
LU
; Bülow, Leif
LU
and Prachayasittikul, Virapong
- organization
- publishing date
- 2008
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Sulfonamide, Molecular imprinting, Molecularly Imprinted polymer, Molecular modeling
- in
- Molecules
- volume
- 13
- issue
- 12
- pages
- 3077 - 3091
- publisher
- MDPI AG
- external identifiers
-
- wos:000261948300013
- scopus:58149260362
- pmid:19078850
- ISSN
- 1420-3049
- DOI
- 10.3390/molecules13123077
- language
- English
- LU publication?
- yes
- id
- f6324d7d-5e34-42c2-ba6d-7018eb5cc962 (old id 1376912)
- date added to LUP
- 2016-04-01 12:53:37
- date last changed
- 2022-01-27 08:12:34
@article{f6324d7d-5e34-42c2-ba6d-7018eb5cc962,
abstract = {{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-vinylimidazole was suitable for imprinting sulfonamides as it did not cross-react with the solvent molecules or engage in self-complexation structures.}},
author = {{Isarankura-Na-Ayudhya, Chartchalerm and Nantasenamat, Chanin and Buraparuangsang, Prasit and Piacham, Theeraphon and Ye, Lei and Bülow, Leif and Prachayasittikul, Virapong}},
issn = {{1420-3049}},
keywords = {{Sulfonamide; Molecular imprinting; Molecularly Imprinted polymer; Molecular modeling}},
language = {{eng}},
number = {{12}},
pages = {{3077--3091}},
publisher = {{MDPI AG}},
series = {{Molecules}},
title = {{Computational Insights on Sulfonamide Imprinted Polymers}},
url = {{http://dx.doi.org/10.3390/molecules13123077}},
doi = {{10.3390/molecules13123077}},
volume = {{13}},
year = {{2008}},
}