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Molecular Modeling Studies of Some Uracil and New Deoxyuridine Derivatives
Joint Authors
Abdel-Mottaleb, Mohamed Sabry
Abdel-Mottaleb, Yousra
Source
Issue
Vol. 2016, Issue 2016 (31 Dec. 2016), pp.1-12, 12 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2016-08-28
Country of Publication
Egypt
No. of Pages
12
Main Subjects
Abstract EN
Molecular modeling results reported in this paper are crucial in highlighting the quantitative relationship between the optimized structure and computed molecular properties related to four newly synthesized uracil derivatives with promising biological potential as anticancer bioactive agents.
Moreover, 5-fluorouracil (5-FU) and its tautomers and thiouracils molecular properties are studied and correlated with their biological activities.
The great medical importance of these and similar molecular systems requires research on their quantitative structure-activity relationships (QSAR) in order to further improve our knowledge about how receptor binding, selectivity, and pharmacological effects are achieved.
Modeling is performed in the ground and the first singlet excited states using density functional theory (DFT) and its time-dependent extension (TD-DFT), respectively.
American Psychological Association (APA)
Abdel-Mottaleb, Yousra& Abdel-Mottaleb, Mohamed Sabry. 2016. Molecular Modeling Studies of Some Uracil and New Deoxyuridine Derivatives. Journal of Chemistry،Vol. 2016, no. 2016, pp.1-12.
https://search.emarefa.net/detail/BIM-1107686
Modern Language Association (MLA)
Abdel-Mottaleb, Yousra& Abdel-Mottaleb, Mohamed Sabry. Molecular Modeling Studies of Some Uracil and New Deoxyuridine Derivatives. Journal of Chemistry No. 2016 (2016), pp.1-12.
https://search.emarefa.net/detail/BIM-1107686
American Medical Association (AMA)
Abdel-Mottaleb, Yousra& Abdel-Mottaleb, Mohamed Sabry. Molecular Modeling Studies of Some Uracil and New Deoxyuridine Derivatives. Journal of Chemistry. 2016. Vol. 2016, no. 2016, pp.1-12.
https://search.emarefa.net/detail/BIM-1107686
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1107686