Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Esteban G. Vega-Hissi"'
Autor:
Myriam Anabel Díaz, Silvia N. González, Mario Eduardo Arena, María Rosa Alberto, Esteban G. Vega-Hissi
Publikováno v:
Arabian Journal for Science and Engineering. 47:241-253
Given that Staphylococcus aureus, an opportunistic pathogen, is one of the main etiological agents that causes various hospital and community infections associated with the production of virulence factors, emerging treatment strategies target to atte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6750952f559d7ce815a1c0c0af21d77
https://doi.org/10.1007/s13369-021-05934-8
https://doi.org/10.1007/s13369-021-05934-8
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
We study potential scavenging of hydrogen peroxide by Allyl Methyl Sulfide and Diallyl Sulfide, two garlic components. The antioxidant properties of garlic are attributed to organosulfide compounds, which react with reactive oxygen species preventing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6de9e8a6aa91ff4044166023d755107
Wiley Online Library
Wiley Online Library
Autor:
Eduardo A. Takara, Esteban G. Vega-Hissi, Juan C. Garro-Martinez, José Marchese, Nelio Ariel Ochoa
Sorption of L- and D-Tyrosine (Tyr) from aqueous solutions on chiral membranes of chitosan (CH) was studied. A high adsorption in the membrane, with a marked enantioselectivity to L-Tyr, was found. Computational calculations carried out by docking an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c9e57a899ec59ef1a50f4509aec6873
https://www.sciencedirect.com/science/article/abs/pii/S014486171831302X
https://www.sciencedirect.com/science/article/abs/pii/S014486171831302X
An in silico analysis of the oxidation mechanism of allyl methyl disulfide (AMDS) by hydroxyl radical was achieved at DFT level using B3LYP, CAM-B3LYP, M06-2X, and BMK functionals and 6-311++G(3df,2p) triple-zeta basis set. The calculations were carr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99c95568c04565b5c7580a55bae351cc
https://link.springer.com/article/10.1007/s11224-018-1198-x
https://link.springer.com/article/10.1007/s11224-018-1198-x
Publikováno v:
Molecular diversity. 23(4)
Although many sulfur containing garlic compounds present antioxidant activity, little is known about molecular mechanisms through which these compounds react with reactive oxygen species. In this work, the reactivity and the hydrogen peroxide scaveng
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54eb82e30b00bd77701790eb20d7eef3
https://pubmed.ncbi.nlm.nih.gov/30756271
https://pubmed.ncbi.nlm.nih.gov/30756271
This study performed an analysis of the influence of the training and test set rational selection on the quality and predictively of the quantitative structure–activity relationship (QSAR) model. The study was carried out on three different dataset
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::23d0e1b375eeb2e34e371a9cd249c15e
https://www.tandfonline.com/doi/full/10.1080/1062936X.2017.1397056
https://www.tandfonline.com/doi/full/10.1080/1062936X.2017.1397056
Publikováno v:
Chemometrics and Intelligent Laboratory Systems. 143:122-129
In this work, we performed a quantitative structure activity relationship (QSAR) model for a family of 5-lipoxygenase (5-LOX) inhibitors using k-means clustering and linear discriminant analysis (LDA) for the selection of training and test sets and m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02082a30bdc894ab856d4ca484456c8b
https://doi.org/10.1016/j.chemolab.2015.03.001
https://doi.org/10.1016/j.chemolab.2015.03.001
Autor:
Juan C. Garro Martinez, Paula B. Paz, Esteban G. Vega-Hissi, Matías F. Andrada, Mario R. Estrada
Publikováno v:
Medicinal Chemistry Research. 24:496-504
The leukotriene A4 hydrolase (LTA4H) is a bifunctional zinc enzyme that catalyzes the final (ratelimiting) step in the synthesis of leukotriene B4 (LTB4), which is involved in several diseases. Many pharmaceutical attempts to exploit the LTA4H/LTB4 p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a493a69305c6b69b665792ed1715e2ee
https://doi.org/10.1007/s00044-014-1121-y
https://doi.org/10.1007/s00044-014-1121-y
Publikováno v:
Chemical Biology & Drug Design. 80:902-908
A combined molecular docking and molecular structure in silico analysis on the substrate and product of leukotriene A4 hydrolase (LTA4H) was performed. The molecular structures of the substrate leukotriene A4 (LTA4) and product leukotirene B4 (LTB4)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d59e635a89540c542b06ae43b186a7a9
https://doi.org/10.1111/cbdd.12037
https://doi.org/10.1111/cbdd.12037
Autor:
F. Tomas-Vert, Mario R. Estrada, Matías F. Andrada, Graciela N. Zamarbide, Esteban G. Vega-Hissi
Publikováno v:
Journal of Molecular Modeling. 17:1317-1323
Quantum chemical methods have been used to study the conformational and electronic properties of sulfanilamide and derivatives with antibacterial activity. Calculations at B3LYP/6-311++G(3df,2p) level of theory predict the existence of four conformer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d77f4215dec2633634be9fd80c916abc
https://doi.org/10.1007/s00894-010-0829-y
https://doi.org/10.1007/s00894-010-0829-y