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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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | The Scientific World Journal |
| Online Access: | http://dx.doi.org/10.1155/2013/309710 |
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| author | Rashmi Dubey Ashish Kumar Tewari Ved Prakash Singh Praveen Singh Jawahar Singh Dangi Carmen Puerta Pedro Valerga Rajni Kant |
| author_facet | Rashmi Dubey Ashish Kumar Tewari Ved Prakash Singh Praveen Singh Jawahar Singh Dangi Carmen Puerta Pedro Valerga Rajni Kant |
| author_sort | Rashmi Dubey |
| collection | DOAJ |
| description | 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). |
| format | Article |
| id | doaj-art-f24380488a4b474181d948a9b12c63bc |
| institution | Kabale University |
| issn | 1537-744X |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | The Scientific World Journal |
| spelling | doaj-art-f24380488a4b474181d948a9b12c63bc2025-02-03T01:06:39ZengWileyThe Scientific World Journal1537-744X2013-01-01201310.1155/2013/309710309710Molecular Docking Study of Conformational Polymorph: Building Block of Crystal ChemistryRashmi Dubey0Ashish Kumar Tewari1Ved Prakash Singh2Praveen Singh3Jawahar Singh Dangi4Carmen Puerta5Pedro Valerga6Rajni Kant7Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005, IndiaDepartment of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005, IndiaDepartment of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005, IndiaDepartment of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221005, IndiaInstitute of Pharmaceutical Sciences, Guru Ghasidas Vishwavidyalya (A Central University), Bilaspur, Chhattisgarh 495009, IndiaDepartamento de Ciencia de los Materiales e Ingenieria Metalurgica, Facultad de Ciencias, Campus Universitario del Rio San Pedro, 11510 Puerto Real, SpainDepartamento de Ciencia de los Materiales e Ingenieria Metalurgica, Facultad de Ciencias, Campus Universitario del Rio San Pedro, 11510 Puerto Real, SpainDepartment of Physics, Jammu University, Jammu 180016, IndiaTwo 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).http://dx.doi.org/10.1155/2013/309710 |
| spellingShingle | Rashmi Dubey Ashish Kumar Tewari Ved Prakash Singh Praveen Singh Jawahar Singh Dangi Carmen Puerta Pedro Valerga Rajni Kant Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry The Scientific World Journal |
| title | Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry |
| title_full | Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry |
| title_fullStr | Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry |
| title_full_unstemmed | Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry |
| title_short | Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry |
| title_sort | molecular docking study of conformational polymorph building block of crystal chemistry |
| url | http://dx.doi.org/10.1155/2013/309710 |
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