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The Scientific World Journal
Volume 2013, Article ID 309710, 6 pages
http://dx.doi.org/10.1155/2013/309710
Research Article

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

1Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005, India
2Institute of Pharmaceutical Sciences, Guru Ghasidas Vishwavidyalya (A Central University), Bilaspur, Chhattisgarh 495009, India
3Departamento de Ciencia de los Materiales e Ingenieria Metalurgica, Facultad de Ciencias, Campus Universitario del Rio San Pedro, 11510 Puerto Real, Spain
4Department of Physics, Jammu University, Jammu 180016, India

Received 18 August 2013; Accepted 15 September 2013

Academic Editors: E. Kryachko and I. Shibata

Copyright © 2013 Rashmi Dubey et al. 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.

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).