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

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URI: http://hdl.handle.net/10498/20430

DOI: 10.1155/2013/309710

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Author/s
Dubey, Rashmi; Kumar Tewari, Ashish; Prakash Singh, Ved; Singh, Praveen; Singh Dangi, Jawahar; Puerta, M. Carmen; Valerga, Pedro; Kant, Rajni
Date
2013
Department
Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
Source
The Scientific World Journal Volume 2013, Article ID 309710, 6 pages
Abstract
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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