BRUNA-HAUPT, EZEQUIEL F.; PERRETTI, MARCELLE D.; GARRO, HUGO A.; CARRILLO, ROMEN; MACHÍN, FÉLIX; LORENZO-CASTRILLEJO, ISABEL; GUTIÉRREZ, LUCAS; VEGA-HISSI, ESTEBAN G.; MAMBERTO, MACARENA; MENACHO-MARQUEZ, MAURICIO; FERNÁNDEZ, CLAUDIO O.; GARCÍA, CELINA; PUNGITORE, CARLOS R.

Synthesis of Structurally Related Coumarin Derivatives as Antiproliferative Agents

ACS Omega; Lugar: Washington DC; Año: 2023 vol. 8 p. 26479 - 26496

DÍAZ, MYRIAM ANABEL; ALBERTO, MARÍA ROSA; VEGA-HISSI, ESTEBAN G.; GONZÁLEZ, SILVIA NELINA; ARENA, MARIO EDUARDO

Interference in Staphylococcus Aureus Biofilm and Virulence Factors Production by Human Probiotic Bacteria with Antimutagenic Activity

ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING; Año: 2022

DIAZ, MARIO GUILLERMO; FERRARI, GABRIELA VERONICA; ANDRADA, MATÍAS FERNANDO; VEGA HISSI, ESTEBAN G.; MONTAÑA, MARIA PAULINA; MARTINEZ, JUAN CEFERINO GARRO

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; Año: 2022

VEGA HISSI, ESTEBAN G.; DE COSTA GUARDAMAGNA, ANTONELLA B.; GARRO, ADRIANA D.; FALCON, CRISTIAN R.; ANDERLUH, MARKO; TOMA?I?, TIHOMIR; KIKELJ, DANIJEL; YANEFF, AGUSTÍN; DAVIO, CARLOS A.; ENRIZ, RICARDO D.; ZURITA., ADOLFO R.

A Potent N-(piperidin-4-yl)-1H-pyrrole-2-carboxamide Inhibitor of Adenylyl Cyclase of G. lamblia: Biological Evaluation and Molecular Modelling Studies

CHEMMEDCHEM; Año: 2021

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

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

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

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

MOLECULAR DIVERSITY; Año: 2019

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: 2018

GARRO MARTÍNEZ, JUAN C.; ANDRADA, MATÍAS F.; VEGA HISSI, ESTEBAN G.; GARIBOTTO, FRANCISCO M.; NOGUERAS, MANUEL; RODRIGUEZ, RICAURTE; COBO, JUSTO; ENRIZ, DANIEL R.; ESTRADA, MARIO R.

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

MEDICINAL CHEMISTRY RESEARCH; Año: 2017 vol. 26 p. 247 - 261

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

ESTEBAN GABRIEL VEGA HISSI; RODRIGO TOSSO; DANIEL RICARDO ENRIZ; LUCAS JOEL GUTIERREZ

Molecular insight into the interaction mechanisms of Amino-2H-imidazole derivatives with BACE1 protease. A QM/MM and QTAIM study

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2015 vol. 115 p. 389 - 397

ANDRADA, MATÍAS F.; ESTEBAN G. VEGA HISSI; MARIO R. ESTRADA; JUAN C. GARRO MARTINEZ

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; Lugar: Amsterdam; Año: 2015

ANDRADA, MATÍAS F.; VEGA HISSI, ESTEBAN G.; ESTRADA, MARIO R.; GARRO MARTÍNEZ 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; Lugar: Amsterdam; Año: 2015 vol. 143 p. 122 - 129

GARRO MARTÍNEZ, J.C.; VEGA HISSI, E.G.; ANDRADA, M.F.; DUCHOWICZ, P.R.; TORRENS, F.; ESTRADA, M.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

JUAN C. GARRO MARTINEZ; ESTEBAN GABRIEL VEGA HISSI; MATIAS F. ANDRADA; CÉSAR SPEDALETTI; MARIO R. ESTRADA

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

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

MARCOS G. RUSSO; ESTEBAN G. VEGA HISSI; ALBERTO C. RIZZI; CARLOS D. BRONDINO; ÁNGEL G. SALINAS IBAÑEZ; ALBA E. VEGA; HUMBERTO J. SILVA; ROBERTO MERCADER; GRISELDA E. NARDA

Synthesis, physicochemical characterization, DFT calculation and biological activities of Fe(III) and Co(II)?omeprazole complexes. Potential application in the Helicobacter pylori eradication

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2014 vol. 1061 p. 5 - 13

GARRO MARTÍNEZ, JUAN C.; VEGA HISSI, ESTEBAN G.; ANDRADA, MATÍAS F.; ESTRADA, MARIO R.

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

EXPERT OPINION ON DRUG DISCOVERY; Lugar: London; Año: 2014 p. 1 - 15

PAZ, PAULA B.; VEGA HISSI, ESTEBAN G.; ANDRADA, MATÍAS F.; ESTRADA, MARIO R.; GARRO MARTÍNEZ, JUAN C.

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

MEDICINAL CHEMISTRY RESEARCH; Año: 2014 p. 1 - 9

ESTEBAN GABRIEL VEGA HISSI; MARIO R. ESTRADA; MARTÍN J. LAVECCHIA; REINALDO PIS DIEZ

Computational chemical analysis of unconjugated bilirubin anions and insights into pKa values clarification

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2013 vol. 138 p. 35101 - 35102

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

In Silico Modeling of the Molecular Structure and Binding of Leukotriene A4 into Leukotriene A4 Hydrolase

CHEMICAL BIOLOGY & DRUG DESIGN; Año: 2012 vol. 80 p. 902 - 908

ESTEBAN GABRIEL VEGA HISSI; MATÍAS F. ANDRADA; GRACIELA N. ZAMARBIDE; MARIO R. ESTRADA; FRANCISCO TOMÁS VERT

Theoretical studies on sulfanilamide and derivatives with antibacterial activity: conformational and electronic analysis

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2011 vol. 17 p. 1317 - 1323

VEGA HISSI, E.G.; GARRO MARTÍNEZ, J.C.; ZAMARBIDE, G.N.; ESTRADA, M.R.; KNAK JENSEN, S.J.; TOMÁS-VERT, F.; CSIZMADIA, I.G

A full conformational space analysis of bilirubin

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