Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals
Joint Authors
Martínez-Cifuentes, Maximiliano
Weiss-López, Boris
Araya-Maturana, Ramiro
Source
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-02-21
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
The mandatory presence of a chlorine atom on the aromatic ring of 6-hydroxy-3-formyl angular chromones, on the respiration inhibition of mammary carcinoma mouse, is explained through a computational study of these compounds.
This study analyzes the reactivity of the neutral molecules and their free radicals, in gas phase and with water solvation, incorporated by the polarizable continuum medium (PCM) approach.
Electrophilic reactivities were evaluated using Fukui (f+) and Parr (P+) functions.
The stabilities of radical species formed by the abstraction of a hydrogen atom from the O-H bond were evaluated by bond dissociation enthalpy (BDE) and spin density (SD) calculations.
This study has potential implications for the design of chromone analogues as anticancer compounds.
American Psychological Association (APA)
Martínez-Cifuentes, Maximiliano& Weiss-López, Boris& Araya-Maturana, Ramiro. 2017. Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals. Journal of Chemistry،Vol. 2017, no. 2017, pp.1-5.
https://search.emarefa.net/detail/BIM-1172570
Modern Language Association (MLA)
Martínez-Cifuentes, Maximiliano…[et al.]. Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals. Journal of Chemistry No. 2017 (2017), pp.1-5.
https://search.emarefa.net/detail/BIM-1172570
American Medical Association (AMA)
Martínez-Cifuentes, Maximiliano& Weiss-López, Boris& Araya-Maturana, Ramiro. Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals. Journal of Chemistry. 2017. Vol. 2017, no. 2017, pp.1-5.
https://search.emarefa.net/detail/BIM-1172570
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1172570