Publicaciones 2011-2020

@article{RN286,
title = {Secondary Metabolites in Ramalina Terebrata Detected by Uhplc/Esi/Ms/Ms and Identification of Parietin as Tau Protein Inhibitor},
author = { A. Cornejo and F. Salgado and J. Caballero and R. Vargas and M. Simirgiotis and C. Areche},
url = {/brokenurl#<Go to ISI>://WOS:000382337900115},
doi = {10.3390/ijms17081303},
issn = {1422-0067},
year = {2016},
date = {2016-01-01},
journal = {International Journal of Molecular Sciences},
volume = {17},
number = {8},
abstract = {Liquid chromatography coupled with mass spectrometry is an outstanding methodology for fast analysis of phenolic compounds in biological samples. Twenty two compounds were quickly and accurately identified in the methanolic extract of the Antarctic lichen Ramalina terebrata for the first time using ultra high pressure liquid chromatography coupled with photodiode array detector and high resolution mass spectrometry (UHPLC-PDA-Q/Orbitrap/MS/MS). In addition, the extract and the four compounds isolated from this species were tested for the inhibitory activity of tau protein aggregation, which is a protein involved in Alzheimer's disease (AD). All compounds showed null activity with the exception of parietin, which it was able to inhibit aggregation process of tau in a concentration range between 3 mu g/mL (10 mu M) to 28 mu g/mL (100 mu M). In addition, we show how parietin interact with tau (306)VQIVYK(311) hexapeptide inside of the microtubule binding domain (4R) with the help of molecular docking experiments. Finally, the constituents present in the methanolic extract could possibly contribute to the established anti-aggregation activity for this extract and this in-depth analysis of the chemical composition of R. terebrata could guide further research into its medicinal properties and potential uses.},
keywords = {alzheimer's alzheimers-disease, biological disease, docking, evaluation, fibril filaments, formation helical lichen lichens, liquid-chromatography, mass-spectrometry, molecular paired parietin, phenolic-compounds, protein, ramalina, tau uhplc-q/orbitrap/ms/ms, uhplc/ms, xanthoria-parietina},
pubstate = {published},
tppubtype = {article}
}

@article{RN234,
title = {Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone},
author = { A. San-Martin and V. Donoso and S. Leiva and M. Bacho and S. Nunez and M. Gutierrez and J. Rovirosa and N. Bailon-Moscoso and S.C. Camacho and O.M. Aviles and M.E. Cazar},
url = {/brokenurl#<Go to ISI>://WOS:000355570800010},
doi = {10.2174/1568026615666150427125033},
issn = {1568-0266},
year = {2015},
date = {2015-01-01},
journal = {Current Topics in Medicinal Chemistry},
volume = {15},
number = {17},
pages = {1743-1749},
abstract = {Phytochemical investigation of Azorella madreporica led to the isolation of four known compounds and an unknown chalcone. The structure of the new compound was identified by spectroscopy, including two-dimensional NMR techniques and comparison with published spectral data. The antioxidant activity of chalcone (compound 1) was measured using the 1,2-diphenyl-2-picryl-hydrazyl (DPPH) free radical scavenging assay, and the bioactivity was evaluated against five bacteria (Mycobacterium smegmatis ATCC 14468, clinical isolates of Staphylococcus aureus, Klebsiella granulomatis, Morganella morganii and Escherichia coli) and four cancer cell lines. Docking studies with the tested cancer related proteins revealed nearby values of energy between doxorubicin and compound 1. Besides, protein-ligand interactions correlate with these energy values.},
keywords = {antibacterial, antimicrobial antitumoral, azorella azorella-madreporica, biological chalcone, compacta diterpenes, diterpenoids, docking, evaluation, flavonoids, madreporica, mulinane, potential yareta},
pubstate = {published},
tppubtype = {article}
}

@article{RN425,
title = {Electrochemical, Esr and Theoretical Insights into the Free Radical Generation by 1,1 '-Hydrocarbylenebisindazoles and Its Evaluation as Potential Bio-Active Compounds},
author = { B. Aguilera-Venegas and C. Olea-Azar and V.J. Aran and J.D. Maya and U. Kemmerling and H. Speisky and F. Mendizabal},
url = {/brokenurl#<Go to ISI>://WOS:000306399700009},
issn = {1452-3981},
year = {2012},
date = {2012-01-01},
journal = {International Journal of Electrochemical Science},
volume = {7},
number = {7},
pages = {5837-5863},
abstract = {A comprehensive multidisciplinary study is conducted here in order to assess the electrochemical behavior of a series of 1,1'-hydrocarbylenebisindazoles derivatives and its potential use as anti-T.cruzi drugs. At first, we have determined the electrochemical reduction mechanisms of this family by cyclic voltammetry (CV) studies, from which three kind of reduction mechanisms -depending on the substituent at positions 3 and 3'-were established, but sharing a first common step corresponding to the generation of a nitro anion radical, which was corroborated by ESR spectroscopy, showing a comparable hyperfine splitting pattern and a strong influence on the ESR spectral linewidths due to the radical-solvent interactions. Furthermore, in order to give a rational description about the electrochemical and ESR results, open- and closed-shell structures of bisindasoles were subjected to theoretical estimations at different levels of theory. For open-shell structures, the hyperfine splitting patterns were confirmed while for the closed-shell systems case, clear evidence about the electrochemical reactivity -in terms of their frontiers orbitals-were obtained. To conclude, all these compounds were assayed as growth inhibitors against T. cruzi, from which some degree of activity was observed for this family, highlighting a compound almost as active as the reference drug. Finally, in order to get some information about the potential action mechanisms involved in the trypanocidal activity, molecular modeling and spin trapping studies were also done.},
keywords = {antiprotozoal biological bisnitroindazoles, carbonyl chagas-disease control, density-functional derivatives, electron-spin-resonance, evaluation, free metabolism microsomal oxidative production, radical, reductase, reduction, ros spin stress, theory, thiol trapping, trypanosoma-cruzi, trypanothione},
pubstate = {published},
tppubtype = {article}
}