Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts

A critical appraisal of the current strategies for the synthesis of enantiopure drugs is presented, along with a systematic background for the computational design of stereoselective porous polymers. These materials aim to achieve the enantiomeric excess of any chiral drug, avoiding the racemic sepa...

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Detalles Bibliográficos
Autores principales: Jalink, Tessa, Farrand, Tom, Herdes, Carmelo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Mini Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5078882/
https://www.ncbi.nlm.nih.gov/pubmed/27822298
http://dx.doi.org/10.1186/s13065-016-0215-7
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author Jalink, Tessa
Farrand, Tom
Herdes, Carmelo
author_facet Jalink, Tessa
Farrand, Tom
Herdes, Carmelo
author_sort Jalink, Tessa
collection PubMed
description A critical appraisal of the current strategies for the synthesis of enantiopure drugs is presented, along with a systematic background for the computational design of stereoselective porous polymers. These materials aim to achieve the enantiomeric excess of any chiral drug, avoiding the racemic separation. Particular emphasis is given to link statistical mechanics methods to the description of each one of the experimental stages within the catalyst’s synthesis, setting a framework for the fundamental study of the emerging field of molecularly imprinted catalysts. [Figure: see text]
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spelling pubmed-50788822016-11-07 Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts Jalink, Tessa Farrand, Tom Herdes, Carmelo Chem Cent J Mini Review A critical appraisal of the current strategies for the synthesis of enantiopure drugs is presented, along with a systematic background for the computational design of stereoselective porous polymers. These materials aim to achieve the enantiomeric excess of any chiral drug, avoiding the racemic separation. Particular emphasis is given to link statistical mechanics methods to the description of each one of the experimental stages within the catalyst’s synthesis, setting a framework for the fundamental study of the emerging field of molecularly imprinted catalysts. [Figure: see text] Springer International Publishing 2016-10-25 /pmc/articles/PMC5078882/ /pubmed/27822298 http://dx.doi.org/10.1186/s13065-016-0215-7 Text en © The Author(s) 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Mini Review
Jalink, Tessa
Farrand, Tom
Herdes, Carmelo
Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
title Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
title_full Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
title_fullStr Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
title_full_unstemmed Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
title_short Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
title_sort towards emic rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts
topic Mini Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5078882/
https://www.ncbi.nlm.nih.gov/pubmed/27822298
http://dx.doi.org/10.1186/s13065-016-0215-7
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