Publicaciones 2011-2020

@article{RN373,
title = {Theoretical Study About the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals},
author = { M. Martinez-Cifuentes and B. Weiss-Lopez and R. Araya-Maturana},
url = {/brokenurl#<Go to ISI>://WOS:000396251800001},
doi = {10.1155/2017/9254831},
issn = {2090-9063},
year = {2017},
date = {2017-01-01},
journal = {Journal of Chemistry},
volume = {10.1155/2017/9254831},
abstract = {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.},
keywords = {activity, antidiabetic antioxidants, chromone, chromonyl-2, derivatives, flavonoids, in-vitro, inhibitors polyphenolic respiration, tumor-cell},
pubstate = {published},
tppubtype = {article}
}

@article{RN320,
title = {A Computational Study of Structure and Reactivity of N-Substitued-4-Piperidones Curcumin Analogues and Their Radical Anions},
author = { M. Martinez-Cifuentes and B. Weiss-Lopez and R. Araya-Maturana},
url = {/brokenurl#<Go to ISI>://WOS:000392140100052},
doi = {10.3390/molecules21121658},
issn = {1420-3049},
year = {2016},
date = {2016-01-01},
journal = {Molecules},
volume = {21},
number = {12},
abstract = {In this work, a computational study of a series of N-substitued-4-piperidones curcumin analogues is presented. The molecular structure of the neutral molecules and their radical anions, as well as their reactivity, are investigated. N-substituents include methyl and benzyl groups, while substituents on the aromatic rings cover electron-donor and electron-acceptor groups. Substitutions at the nitrogen atom do not significantly affect the geometry and frontier molecular orbitals (FMO) energies of these molecules. On the other hand, substituents on the aromatic rings modify the distribution of FMO. In addition, they influence the capability of these molecules to attach an additional electron, which was studied through adiabatic (AEA) and vertical electron affinities (VEA), as well as vertical detachment energy (VDE). To study electrophilic properties of these structures, local reactivity indices, such as Fukui (f(+)) and Parr (P+) functions, were calculated, and show the influence of the aromatic rings substituents on the reactivity of alpha,beta-unsaturated ketones towards nucleophilic attack. This study has potential implications for the design of curcumin analogues based on a 4-piperidone core with desired reactivity.},
keywords = {anion, anticancer, chemistry, computational curcumin, derivatives, in-vitro, indices, radical reactivity stability, targets},
pubstate = {published},
tppubtype = {article}
}

@article{RN266,
title = {Heterocyclic Curcumin Derivatives of Pharmacological Interest: Recent Progress},
author = { M. Martinez-Cifuentes and B. Weiss-Lopez and L.S. Santos and R. Araya-Maturana},
url = {/brokenurl#<Go to ISI>://WOS:000355570800003},
doi = {10.2174/1568026615666150427111837},
issn = {1568-0266},
year = {2015},
date = {2015-01-01},
journal = {Current Topics in Medicinal Chemistry},
volume = {15},
number = {17},
pages = {1663-1672},
abstract = {Curcumin, a natural yellow polyphenol, is isolated from the herb Curcuma longa L. (turmeric), a member of the ginger family. It has been extensively studied due to their multiple pharmacological properties. Nevertheless, curcumin has disadvantages such as poor water solubility, poor bioavailability and rapid metabolism, which has prompted the search for analogues that overcome these shortcomings while maintaining or improving their good pharmacological properties. Among the main curcumin analogues that have been developed, the heterocyclic curcuminoids show a high interest. In this review, we describe recent progress in the synthesis and pharmacological properties of new heterocyclic curcumin derivatives. The most recent developments in anti-cancer, anti-Alzheimer, anti-bacterial and anti-oxidants heterocyclic curcumin derivatives are covered.},
keywords = {alzheimer, analogs, antibacterial, antiinflammatory antioxidant, antioxidants, apoptosis, bioavailability, cancer, curcumin, cytotoxicity, heterocycles, in-vitro, inhibitors molecular properties, targets},
pubstate = {published},
tppubtype = {article}
}