MARIO DIAZ; GABRIELA FERRARI; ESTEBAN G. VEGA-HISSI; ANDRADA MATIAS; PAULINA MOTAÑA ; GARRO MARTINEZ JUAN C

An experimental and theoretical study of ROS scavenging by organosulfur compounds from Garlic. In silico analysis of metabolic pathways and interactions on CYP2E1

JOURNAL OF SULFUR CHEMISTRY; Lugar: Londres; Año: 2022

CHACON, INALEN; GUZMAN, CARLA FLORENCIA; GARRO, JUAN; RAMIREZ, DARIO; GOMEZ-MEJIBA, SANDRA

In silico analysis of nitrones with possible Nrf2 agonist activities

FREE RADICAL BIOLOGY AND MEDICINE; Año: 2022 vol. 192

DÍAZ, MARIO G.; VEGA?HISSI, ESTEBAN G.; ANDRADA, MATIAS F.; GARRO MARTINEZ, JUAN C.

Scavenging of Hydrogen Peroxide by Allyl Methyl Sulfide and Diallyl Sulfide, Two Garlic Active Compounds: A Theoretical Study

ChemistrySelect; Lugar: Weinheim; Año: 2020 vol. 5 p. 3234 - 3242

DÍAZ, MARIO G.; ANDRADA, MATÍAS F.; VEGA-HISSI, ESTEBAN G.; MARTINEZ, JUAN C. GARRO

Density functional theory study of the oxidation reaction in the gas and aqueous phase of allyl methyl disulfide with hydroxyl radical

STRUCTURAL CHEMISTRY; Año: 2019 vol. 30 p. 237 - 245

ESTEBAN GABRIEL VEGA HISSI; ANDRADA, MATÍAS F.; DÍAZ, MARIO G.; GARRO MARTINEZ, JUAN C.

Computational study of the hydrogen peroxide scavenging mechanism of allyl methyl disulide, an antioxidant compound from garlic

MOLECULAR DIVERSITY; Lugar: Berlin; Año: 2019

TAKARA, EDUARDO A.; VEGA-HISSI, ESTEBAN G.; GARRO-MARTINEZ, JUAN C.; MARCHESE, JOSÉ; OCHOA, NELIO A.

About endothermic sorption of tyrosine on chitosan films

CARBOHYDRATE POLYMERS; Año: 2019 vol. 206 p. 57 - 64

YÉPES, ANDRÉS FELIPE; BAHSAS, ALÍ; ESCOBAR, PATRICIA; COBO, JUSTO; PALMA, ALIRIO; GARRO MARTINEZ, JUAN C.; ENRIZ, RICARDO

Synthesis, anti-parasitic activity and QSAR study of a new library of polysubstituted tetrahydronaphtho[1,2-b]azepines

MEDICINAL CHEMISTRY RESEARCH; Año: 2018

ANDRADA, M. F.; VEGA-HISSI, E. G.; ESTRADA, M. R.; GARRO MARTINEZ, J. C.

Impact assessment of the rational selection of training and test sets on the predictive ability of QSAR models

SAR AND QSAR IN ENVIRONMENTAL RESEARCH; Año: 2017 vol. 28 p. 1011 - 1023

JUAN C. GARRO MARTINEZ; MATIAS F. ANDRADA; ESTEBAN G. VEGA-HISSI; FRANCISCO M. GARIBOTTO; MANUEL NOGUERAS; RICAURTE RODRÍGUEZ; JUSTO COBO; RICARDO D. ENRIZ; MARIO R. ESTRADA

Dihydrofolate reductase inhibitors: A quantitative structure-activity relationship study using 2D and 3D-QSAR methods

MEDICINAL CHEMISTRY RESEARCH; Año: 2017

RODRIGO D. TOSSO; MARCELA VETTORAZZI; SEBASTIAN A. ANDUJAR; LUCAS J. GUTIERREZ; JUAN C. GARRO MARTÍNEZ; EMILIO ANGELINA

The electronic density obtained from a QTAIM analysis used as molecular descriptor. A study performed in a new series of DHFR inhibitors

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2017 vol. 1134 p. 464 - 474

JOSÉ F. ARANDA; JUAN C. GARRO MARTINEZ; EDUARDO A. CASTRO; PABLO R. DUCHOWICZ

Conformation-Independent QSPR Approach for the Soil Sorption Coefficient of Heterogeneous Compounds.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; Lugar: Basel; Año: 2016 vol. 17 p. 1247 - 1256

GARRO MARTINEZ, JUAN C.; ESTEBAN GABRIEL VEGA HISSI; ANDRADA MATIAS; ESTRADA MARIO

QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity

EXPERT OPINION ON DRUG DISCOVERY; Año: 2015 vol. 10 p. 37 - 51

ANDRADA MATIAS; ESTEBAN GABRIEL VEGA HISSI; ESTRADA MARIO R.; GARRO MARTINEZ, JUAN C.

Application of k-means Clustering, Linear Discriminant Analysis and Multivariate Linear Regression for the development of a predictive QSAR model on 5-lipoxygenase inhibitors

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2015 vol. 143 p. 122 - 129

PAZ, PAULA B.; ESTEBAN GABRIEL VEGA HISSI; ANDRADA MATIAS; ESTRADA, MARIO; GARRO MARTINEZ, JUAN C.

Quantitative structure activity relationship and binding investigation of N-alkyl glycine amides as inhibitors of Leukotriene A4 hydrolase

MEDICINAL CHEMISTRY RESEARCH; Año: 2015 vol. 24 p. 496 - 504

GARRO MARTINEZ, JUAN C.; VEGA-HISSI, ESTEBAN; ANDRADA, MATIAS; CÉSAR A. SPEDALETTI; ESTRADA MARIO R.

In silico identification of the active conformation of open-chain Enaminones with anticonvulsant activity

MEDICINAL CHEMISTRY RESEARCH; Año: 2014 vol. 23 p. 2528 - 2535

GARRO MARTINEZ, JUAN C.; VEGA-HISSI, ESTEBAN; ANDRADA, MATIAS; PABLO R. DUCHOWICZ; TORRENS FRANCISCO; ESTRADA MARIO R.

Lacosamide derivatives with anticonvulsant activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR analysis

CURRENT COMPUTER-AIDED DRUG DESIGN; Lugar: Oak Park; Año: 2014 vol. 10 p. 160 - 167

GARRO MARTINEZ, JUAN C.; VEGA-HISSI, ESTEBAN; ANDRADA, MATIAS; PABLO R. DUCHOWICZ; TORRENS FRANCISCO; ESTRADA MARIO R.

Lacosamide derivatives with anticonvulsant activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR analysis

CURRENT COMPUTER-AIDED DRUG DESIGN; Lugar: Oak Park; Año: 2013

GARRO MARTINEZ, JUAN C.; PABLO R. DUCHOWICZ; ESTRADA MARIO R.; CASTRO EDUARDO

Influence of different molecular descriptors on the anticonvulsant activity of acetamido-N-benzylacetamide derivatives. A MLR-QSAR Study

MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY; Año: 2012 p. 745 - 758

PAZ, PAULA B. ; VEGA-HISSI, ESTEBAN; ESTRADA MARIO R.; GARRO MARTINEZ, JUAN C.

In silico modeling of the molecular structure and binding of leukotriene A4 into leukotriene A4 hydrolase

CHEMICAL BIOLOGY & DRUG DESIGN; Lugar: Londres; Año: 2012 p. 902 - 908

JUAN C. GARRO MARTINEZ; PABLO R. DUCHOWICZ; MARIO R. ESTRADA; GRACIELA N. ZAMARBIDE; EDUARDO A. CASTRO

QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; Lugar: Basel; Año: 2011 vol. 12 p. 9354 - 9368

JUAN C. GARRO MARTINEZ; PABLO R. DUCHOWICZ; M. R. ESTRADA; GRACIELA N. ZAMARBIDE; E. A. CASTRO

Anticonvulsant Activity of Ringed Enaminones: A QSAR Study

QSAR Comb. Sci; Año: 2009 vol. 28 p. 1376 - 1385

ESTEBAN GABRIEL VEGA HISSI; JUAN CEFERINO GARRO MARTÍNEZ; GRACIELA NILDA ZAMARBIDE; MARIO RINALDO ESTRADA; SVEND J. KNAK JENSEN; FRANCISCO TOMÁS-VERT; IMRE G. CSIZMADIA

A full conformational space analysis of bilirubin

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2009 vol. 911 p. 24 - 29

M.C.BERNINI; J.C.GARRO; E.V.BRUSAU; G.E.NARDA; J.C.PEDREGOSA; E.L.VARETTI

Experimental and theoretical vibrational study of tetraaquatris(succinate) diholmium(III) hexahydrate, a bidimensional hybrid coordination polymer

JOURNAL OF MOLECULAR STRUCTURE; Año: 2008

MATÍAS F. ANDRADA; JUAN C. GARRO MARTÍNEZ; MILAN SZORI; GRACIELA N. ZAMARBIDE; FRANCISCO TOMÁS VERT; BELA VISKOLCZ; MARIO R. ESTRADA; IMRE G. CSIZMADIA

Thermodynamics of competing oxidation reactions of allyl-methyl disulfide by hydrogen peroxide. A first principle molecular computacional study on the conformations of allyl-methyl disulfide and its oxidized products

The Journal of Physical Organic Chemistry; Año: 2008 vol. 21 p. 1048 - 1058

JUAN C. GARRO MARTÍNEZ; MATÍAS F. ANDRADA; ESTRADA MARIO; EDUARDO A. CASTRO; GRACIELA N. ZAMARBIDE; Z. MUCSI; IMRE G. CSIZMADIA

An exploratory study to investigate Possible simple descriptors in order to predict relative activity of Antiepileptic Enaminones

The Journal of Physical Organic Chemistry; Año: 2008 vol. 21 p. 409 - 418

PABLO R. DUCHOWICZ; JUAN C. M. GARRO; MATÍAS F. ANDRADA; EDUARDO A. CASTRO; FRANCISCO M. FERNÁNDEZ

QSPR Modeling of Heats of Combustion for Carboxylic Acids

QSAR & COMBINATORIAL SCIENCE; Año: 2007 p. 647 - 652

PABLO R. DUCHOWICZ; JUAN C. GARRO MARTINEZ; EDUARDO A. CASTRO

QSPR Study of the Henry's Law Constant for Hydrocarbons

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Año: 2007 p. 133 - 140

JUAN C. GARRO MARTÍNEZ; MATÍAS F. ANDRADA; MARIO R. ESTRADA; GRACIELA N. ZAMARBIDE

A preliminary theoretical study of antiepileptic drugs

Journal of the Argentine Chemical Society; Año: 2006 p. 121 - 127

CÉSAR A. SPEDALETTI; MARIO R. ESTRADA; GRACIELA N. ZAMARBIDE; JUAN C. GARRO; CARLOS A. PONCE; FRANCISCO TOMÁS VERT

• “Theoretical study on hydration of diazanaphthalenes symmetrically different

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2005 p. 115 - 118

CÉSAR A. SPEDALETTI; MARIO R. ESTRADA; GRACIELA N. ZAMARBIDE; JUAN C. GARRO; CARLOS A. PONCE; FRANCISCO TOMÁS VERT

Theoretical study on hydration of two particular diazanaphthalenes

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2005 p. 211 - 216

JUAN C. GARRO MARTÍNEZ; GRACIELA N. ZAMARBIDE; MARIO R. ESTRADA; EDUARDO A. CASTRO

Geometrical isomerism and conformational charges of selected open-ring enaminones in its neutral and protonated forms

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2005 p. 63 - 68

JUAN C. GARRO MARTÍNEZ; GRACIELA N. ZAMARBIDE; MARIO ESTRADA; FRANCISCO TOMÁS VERT; CARLOS A. PONCE

Theoretical study of a hydration mechanism in an enaminone pro-drug prototype

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2003 p. 617 - 623

JUAN C. GARRO,; GUSTAVO D. MANZANARES,; GRACIELA N. ZAMARBIDE; CARLOS A. PONCE,; MARIO R. ESTRADA; ESTEBAN A. JÁUREGUI

Geometrical Isomerism, tautomerism and conformational charges of 2-propenal-3-amine in its neutral and protonated forms

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2001 p. 17 - 27