A Computer‐Driven Scaffold‐Hopping Approach Generating New PTP1B Inhibitors from the Pyrrolo[1,2‐a]quinoxaline Core J García‐Marín, M Griera, R Alajarín, M Rodríguez‐Puyol, ... ChemMedChem 16 (18), 2895-2906, 2021 | 11 | 2021 |
Pyrrolo[1,2‐a]quinoxalines: Insulin Mimetics that Exhibit Potent and Selective Inhibition against Protein Tyrosine Phosphatase 1B J García‐Marín, M Griera, P Sánchez‐Alonso, B Di Geronimo, F Mendicuti, ... ChemMedChem 15 (19), 1788-1801, 2020 | 9 | 2020 |
Computational insight into the selective allosteric inhibition for PTP1B versus TCPTP: a molecular modelling study GM Javier Journal of Biomolecular Structure and Dynamics 39 (15), 5399-5410, 2021 | 5 | 2021 |
Pyrrolo [1, 2-a] quinoxal-5-inium salts and 4, 5-dihydropyrrolo [1, 2-a] quinoxalines: synthesis, activity and computational docking for protein tyrosine phosphatase 1B P Sanchez-Alonso, M Griera, J Garcia-Marin, M Rodriguez-Puyol, ... Bioorganic & Medicinal Chemistry 44, 116295, 2021 | 5 | 2021 |
Tripeptides as Integrin-Linked Kinase Modulating Agents Based on a Protein–Protein Interaction with α-Parvin J Garcia-Marin, M Griera-Merino, A Matamoros-Recio, S de Frutos, ... ACS Medicinal Chemistry Letters 12 (11), 1656-1662, 2021 | 5 | 2021 |
Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase H de Lucio, J García-Marín, P Sánchez-Alonso, JC García-Soriano, ... European Journal of Medicinal Chemistry 227, 113915, 2022 | 4 | 2022 |
Insight into the mechanism of molecular recognition between human Integrin-Linked Kinase and Cpd22 and its implication at atomic level J García-Marín, D Rodríguez-Puyol, JJ Vaquero Journal of Computer-Aided Molecular Design 36 (8), 575-589, 2022 | 3 | 2022 |
Propuesta de un modelo computacional para el estudio de la selectividad de los inhibidores alostéricos de PTP1B JG Marín An Real Acad Farm 86 (2), 99-112, 2020 | 2 | 2020 |
Molecular dynamics simulations reveal the impact of NUDT15 R139C and R139H variants in structural conformation and dynamics E Gómez-Rubio, J Garcia-Marin Journal of Biomolecular Structure and Dynamics 41 (24), 14812-14821, 2023 | | 2023 |
Computational Simulations of Glycan Recognition by Lectins and Other Carbohydrate Binding Proteins E Gómez-Rubio, A Matamoros-Recio, J García-Marín, ... Elsevier, 2023 | | 2023 |
Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase HE Lucio Ortega, J García Marin, P Sánchez Alonso, JC García Soriano, ... | | 2022 |
Descifrando el mecanismo de inhibición de una pseudoquinasa: la quinasa ligada a integrinas y el cpd22 J García Marín An. R. Acad. Nac. Farm.(Internet), 131-148, 2022 | | 2022 |
Tripeptides as Integrin-Linked Kinase Modulating Agents Based on a Protein-Protein Interaction with alfa-Parvin LR Alajarín Ferrández, J García Marin, JJ Vaquero López, ... | | 2021 |
2. COMPUESTOS QUE SE UNEN A LA ILK Y MODULAN LA INTERACCIÓN ILK/ALFA-PARVINA Y LA POLIMERIZACIÓN DE ACTINA J García Marín, R Alajarín Ferrández, JJ Vaquero López, M Griera Merino, ... EP Patent App. P202,030,776, 2020 | | 2020 |
1. COMPUESTOS MODULADORES DEL EFECTO DE LA QUINASA LIGADA A INTEGRINAS (ILK) SOBRE LA POLIMERIZACIÓN DE ACTINA. J García Marín, R Alajarín Ferrández, JJ Vaquero López, M Griera Merino, ... ES Patent App. P202,030,775, 2020 | | 2020 |
Computational Insight into the Selective Allosteric Inhibition for PTP1B versus TCPTP: a molecular modelling study J García Marin | | 2020 |
Estrategias en el tratamiento de la enfermedad renal crónica: nuevos moduladores de PTP 1B e ILK JG Marín Universidad de Alcalá, 2020 | | 2020 |
Estrategias en el tratamiento de la enfermedad renal crónica: nuevos moduladores de PTP1B e ILK J García Marin | | 2020 |
Evaluación de la relajación nitrérgica en arterias peneanas de ratas Wistar JG Marín, FF García REDUCA 3 (1), 2011 | | 2011 |