Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry

Two conformational polymorphs of novel 2-[2-(3-cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl nicotinonitrile have been developed. The crystal structure of both polymorphs (1a and 1b) seems to be stabilized by weak interactions. A difference was observed in the packing of both polymo...

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Detalles Bibliográficos
Autores principales: Dubey, Rashmi, Tewari, Ashish Kumar, Singh, Ved Prakash, Singh, Praveen, Dangi, Jawahar Singh, Puerta, Carmen, Valerga, Pedro, Kant, Rajni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3821945/
https://www.ncbi.nlm.nih.gov/pubmed/24250264
http://dx.doi.org/10.1155/2013/309710
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author Dubey, Rashmi
Tewari, Ashish Kumar
Singh, Ved Prakash
Singh, Praveen
Dangi, Jawahar Singh
Puerta, Carmen
Valerga, Pedro
Kant, Rajni
author_facet Dubey, Rashmi
Tewari, Ashish Kumar
Singh, Ved Prakash
Singh, Praveen
Dangi, Jawahar Singh
Puerta, Carmen
Valerga, Pedro
Kant, Rajni
author_sort Dubey, Rashmi
collection PubMed
description Two conformational polymorphs of novel 2-[2-(3-cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl nicotinonitrile have been developed. The crystal structure of both polymorphs (1a and 1b) seems to be stabilized by weak interactions. A difference was observed in the packing of both polymorphs. Polymorph 1b has a better binding affinity with the cyclooxygenase (COX-2) receptor than the standard (Nimesulide).
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spelling pubmed-38219452013-11-18 Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry Dubey, Rashmi Tewari, Ashish Kumar Singh, Ved Prakash Singh, Praveen Dangi, Jawahar Singh Puerta, Carmen Valerga, Pedro Kant, Rajni ScientificWorldJournal Research Article Two conformational polymorphs of novel 2-[2-(3-cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl nicotinonitrile have been developed. The crystal structure of both polymorphs (1a and 1b) seems to be stabilized by weak interactions. A difference was observed in the packing of both polymorphs. Polymorph 1b has a better binding affinity with the cyclooxygenase (COX-2) receptor than the standard (Nimesulide). Hindawi Publishing Corporation 2013-10-23 /pmc/articles/PMC3821945/ /pubmed/24250264 http://dx.doi.org/10.1155/2013/309710 Text en Copyright © 2013 Rashmi Dubey et al. https://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Dubey, Rashmi
Tewari, Ashish Kumar
Singh, Ved Prakash
Singh, Praveen
Dangi, Jawahar Singh
Puerta, Carmen
Valerga, Pedro
Kant, Rajni
Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
title Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
title_full Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
title_fullStr Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
title_full_unstemmed Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
title_short Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
title_sort molecular docking study of conformational polymorph: building block of crystal chemistry
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3821945/
https://www.ncbi.nlm.nih.gov/pubmed/24250264
http://dx.doi.org/10.1155/2013/309710
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