Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling
This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT) framework. Reactivity indices obtained from the frontier orbital energies as well...
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| Format: | Article |
| Language: | English |
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Wiley
2017-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2017/4102796 |
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| _version_ | 1832549549105741824 |
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| author | Nour E. A. Abdel-Sattar Abeer M. El-Naggar M. S. A. Abdel-Mottaleb |
| author_facet | Nour E. A. Abdel-Sattar Abeer M. El-Naggar M. S. A. Abdel-Mottaleb |
| author_sort | Nour E. A. Abdel-Sattar |
| collection | DOAJ |
| description | This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT) framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discussed and correlated with the molecular structure. X-ray crystallographic data of one of the new compounds is measured and used to support and verify the theoretical results. |
| format | Article |
| id | doaj-art-dfffc59bcb4e41069e70c3cdcbe4481e |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2017-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-dfffc59bcb4e41069e70c3cdcbe4481e2025-02-03T06:11:12ZengWileyJournal of Chemistry2090-90632090-90712017-01-01201710.1155/2017/41027964102796Novel Thiazole Derivatives of Medicinal Potential: Synthesis and ModelingNour E. A. Abdel-Sattar0Abeer M. El-Naggar1M. S. A. Abdel-Mottaleb2Department of Chemistry, Organic Labs, and Computational Chemistry Lab, Faculty of Science, Ain Shams University, Abbasiya, Cairo 11566, EgyptDepartment of Chemistry, Organic Labs, and Computational Chemistry Lab, Faculty of Science, Ain Shams University, Abbasiya, Cairo 11566, EgyptDepartment of Chemistry, Organic Labs, and Computational Chemistry Lab, Faculty of Science, Ain Shams University, Abbasiya, Cairo 11566, EgyptThis paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT) framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discussed and correlated with the molecular structure. X-ray crystallographic data of one of the new compounds is measured and used to support and verify the theoretical results.http://dx.doi.org/10.1155/2017/4102796 |
| spellingShingle | Nour E. A. Abdel-Sattar Abeer M. El-Naggar M. S. A. Abdel-Mottaleb Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling Journal of Chemistry |
| title | Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling |
| title_full | Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling |
| title_fullStr | Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling |
| title_full_unstemmed | Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling |
| title_short | Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling |
| title_sort | novel thiazole derivatives of medicinal potential synthesis and modeling |
| url | http://dx.doi.org/10.1155/2017/4102796 |
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