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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Main Authors:	Nour E. A. Abdel-Sattar, Abeer M. El-Naggar, M. S. A. Abdel-Mottaleb
Format:	Article
Language:	English
Published:	Hindawi Limited 2017-01-01
Series:	Journal of Chemistry
Online Access:	http://dx.doi.org/10.1155/2017/4102796

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spelling	doaj-dfffc59bcb4e41069e70c3cdcbe4481e2020-11-24T23:24:45ZengHindawi LimitedJournal 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
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Nour E. A. Abdel-Sattar Abeer M. El-Naggar M. S. A. Abdel-Mottaleb
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
author_facet	Nour E. A. Abdel-Sattar Abeer M. El-Naggar M. S. A. Abdel-Mottaleb
author_sort	Nour E. A. Abdel-Sattar
title	Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling
title_short	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_sort	novel thiazole derivatives of medicinal potential: synthesis and modeling
publisher	Hindawi Limited
series	Journal of Chemistry
issn	2090-9063 2090-9071
publishDate	2017-01-01
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.
url	http://dx.doi.org/10.1155/2017/4102796
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Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling

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