Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
Metrics and citations
MetadataShow full item record
Author/sDubey, Rashmi; Kumar Tewari, Ashish; Prakash Singh, Ved; Singh, Praveen; Singh Dangi, Jawahar; Puerta, M. Carmen; Valerga, Pedro; Kant, Rajni
DepartmentCiencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
SourceThe Scientific World Journal Volume 2013, Article ID 309710, 6 pages
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).