VETTORAZZI, MARCELA; SANCHO, MATIAS I.; PARAJÓ, MERCEDES; PORASSO, RODOLFO D.; ENRIZ, RICARDO D.; GARCÍA-RÍO, LUIS

Effect of pH on azobenzene-4,4'-dicarboxylate/α-CD complex formation. Synthesis, kinetic study and molecular modeling simulations

JOURNAL OF MOLECULAR LIQUIDS; Año: 2025 vol. 417

VETTORAZZI, MARCELA; DIAZ, IVAN; ANGELINA, EMILIO; SALIDO, SOFIA; GUTIERREZ, LUCAS; ALVAREZ, SERGIO; COBO, JUSTO; ENRIZ, RICARDO DANIEL

Second generation of pyrimidin-quinolone hybrids obtained from virtual screening acting as sphingosine kinase 1 inhibitors and potential anticancer agents

BIOORGANIC CHEMISTRY; Año: 2024 vol. 144

GUTIERREZ, LUCAS J.; VETTORAZZI, MARCELA; DERNOV?EK, JAKA; DURCIK, MARTINA; MA?Ič, LUCIJA PETERLIN; TOMA?Ič, TIHOMIR; ENRIZ, RICARDO D.

Computer-aided structure-based optimization of 4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine derivatives as DNA gyrase B inhibitors

NEW JOURNAL OF CHEMISTRY; Año: 2023

ROJAS, SEBASTIÁN; PARRAVICINI, OSCAR; VETTORAZZI, MARCELA; TOSSO, RODRIGO; GARRO, ADRIANA; GUTIÉRREZ, LUCAS; ANDÚJAR, SEBASTIÁN; ENRIZ, RICARDO

Combined MD/QTAIM techniques to evaluate ligand-receptor interactions. Scope and limitations

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2020 vol. 208

CAMPOS, LUDMILA E.; GARIBOTTO, FRANCISCO; ANGELINA, EMILIO; KOS, JIRI; GONEC, TOMAS; MARVANOVA, PAVLINA; VETTORAZZI, MARCELA; ORAVEC, MICHAL; JENDRZEJEWSKA, IZABELA; JAMPILEK, JOSEF; ALVAREZ, SERGIO E.; ENRIZ, RICARDO D.

Hydroxynaphthalenecarboxamides and substituted piperazinylpropandiols, two new series of BRAF inhibitors. A theoretical and experimental study

BIOORGANIC CHEMISTRY; Año: 2020 vol. 103

TOSSO, RODRIGO D.; PARRAVICINI, OSCAR; ZARYCZ, M. NATALIA C.; ANGELINA, EMILIO; VETTORAZZI, MARCELA; PERUCHENA, NÉLIDA; ANDUJAR, SEBASTIÁN; ENRIZ, RICARDO D.

Conformational and electronic study of dopamine interacting with the D2 dopamine receptor

JOURNAL OF COMPUTATIONAL CHEMISTRY; Año: 2020 vol. 41 p. 1898 - 1911

VETTORAZZI, MARCELA; INSUASTY, DANIEL; LIMA, SANTIAGO; GUTIÉRREZ, LUCAS; NOGUERAS, MANUEL; MARCHAL, ANTONIO; ABONIA, RODRIGO; ANDÚJAR, SEBASTIÁN; SPIEGEL, SARAH; COBO, JUSTO; ENRIZ, RICARDO D.

Design of new quinolin-2-one-pyrimidine hybrids as sphingosine kinases inhibitors

BIOORGANIC CHEMISTRY; Año: 2020 vol. 94

VETTORAZZI, MARCELA; VILA, LAURA ; LIMA, SANTIAGO ; ACOSTA, LINA ; YEPES, FELIPE ; PALMA, ALIRIO ; COBO, JUSTO ; TENGLER, JAN ; MALIK, IVAN ; ALVAREZ, SERGIO ; MARQUÉS, PATRICE ; CABEDO, NURIA ; SANZ, M. JESUS ; JAMPILEK, JOSEF ; SPIEGEL, SARAH ; ENRIZ, RICARDO D.

Synthesis and biological evaluation of sphingosine kinase 2 inhibitors with anti-inflammatory activity

ARCHIV DER PHARMAZIE.; Lugar: Weinheim; Año: 2018 vol. 352

VETTORAZZI, MARCELA; MENENDEZ, CINTIA ; GUTIERREZ, LUCAS; ANDUJAR, SEBASTIAN; APPIGNANESI, GUSTAVO ; ENRIZ, DANIEL

Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN; Lugar: Berlin; Año: 2018

VETTORAZZI, MARCELA; GARRO, JUAN C.; TOSSO, RODRIGO D.; ANDUJAR, SEBASTIAN A.; GUTIERREZ, LUCAS J.; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; ANGELINA, EMILIO; RODRÍGUEZ, RICAURTE; NOGUERAS, MANUEL; COBO, JUSTO

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; Año: 2017 vol. 1134 p. 464 - 474

ENRIZ, RICARDO D.; SUVIRE, FERNANDO D.; ANDUJAR, SEBASTIAN A.; ALVAREZ, MARIA A.; DOLAB, JUAN G.; VETTORAZZI, MARCELA; ROJAS, SEBASTIAN

The Long and Winding Road to Convert an Antimicrobial Compound into an Antimicrobial Drug: An Overview from a Medicinal Chemistry Point of View

CURRENT ORGANIC CHEMISTRY; Año: 2017 vol. 21

VETTORAZZI, MARCELA; ANGELINA, EMILIO; LIMA, SANTIAGO; GONEC, TOMAS; OTEVREL, JAN; MARVANOVA, PAVLINA; PADRTOVA, TEREZA; MOKRY, PETR; BOBAL, PAVEL; ACOSTA, LINA M.; PALMA, ALIRIO; COBO, JUSTO; BOBALOVA, JANETTE; CSOLLEI, JOZEF; MALIK, IVAN; ALVAREZ, SERGIO; SPIEGEL, SARAH; JAMPILEK, JOSEF; ENRIZ, RICARDO D.

An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2017 vol. 139 p. 461 - 481