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
Descripción
Sumario: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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