3.9 Article

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

Journal

SCIENTIFIC WORLD JOURNAL
Volume -, Issue -, Pages -

Publisher

HINDAWI PUBLISHING CORPORATION
DOI: 10.1155/2013/309710

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Funding

  1. UGC India [37-54/2009 (SR)]
  2. CSIR, New Delhi, India

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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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