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García Marin, Javier

Química Orgánica y Química Inorgánica / Universidad de Alcalá

Publications

Insight into the mechanism of molecular recognition between human Integrin-Linked Kinase and Cpd22 and its implication at atomic level

  • García-Marín, J.
  • Rodríguez-Puyol, D.
  • Vaquero, J.J.

Journal of Computer-Aided Molecular Design (p. 575-589) - 2022

Editor: Springer Science and Business Media Deutschland GmbH

10.1007/s10822-022-00466-1 View at source

  • ISSN/ISBN 1573-4951

Computational insight into the selective allosteric inhibition for PTP1B versus TCPTP: a molecular modelling study

  • Javier, G.-M.

Journal of Biomolecular Structure and Dynamics (p. 1-12) - 2020

Editor: Taylor and Francis Ltd.

10.1080/07391102.2020.1790421 View at source

  • ISSN/ISBN 1538-0254

Molecular dynamics simulations reveal the impact of NUDT15 R139C and R139H variants in structural conformation and dynamics

  • Gómez-Rubio, E.
  • Garcia-Marin, J.

Journal of Biomolecular Structure and Dynamics - 2023

Editor: Taylor and Francis Ltd.

10.1080/07391102.2023.2187626 View at source

  • ISSN/ISBN 1538-0254

Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase

  • de Lucio, H.
  • García-Marín, J.
  • Sánchez-Alonso, P.
  • García-Soriano, J.C.
  • Toro, M.Á.
  • Vaquero, J.J.
  • Gago, F.
  • Alajarín, R.
  • Jiménez-Ruiz, A.
... View more Collapse

European Journal of Medicinal Chemistry - 2022

Editor: Elsevier Masson s.r.l.

10.1016/j.ejmech.2021.113915 View at source

  • ISSN/ISBN 1768-3254

Pyrrolo[1,2-a]quinoxalines: Insulin Mimetics that Exhibit Potent and Selective Inhibition against Protein Tyrosine Phosphatase 1B

  • García-Marín, J.
  • Griera, M.
  • Sánchez-Alonso, P.
  • Di Geronimo, B.
  • Mendicuti, F.
  • Rodríguez-Puyol, M.
  • Alajarín, R.
  • de Pascual-Teresa, B.
  • Vaquero, J.J.
  • Rodríguez-Puyol, D.
... View more Collapse

ChemMedChem (p. 1788-1801) - 2020

Editor: John Wiley and Sons Ltd

10.1002/cmdc.202000446 View at source

  • ISSN/ISBN 1860-7187

A Computer-Driven Scaffold-Hopping Approach Generating New PTP1B Inhibitors from the Pyrrolo[1,2-a]quinoxaline Core

  • García-Marín, J.
  • Griera, M.
  • Alajarín, R.
  • Rodríguez-Puyol, M.
  • Rodríguez-Puyol, D.
  • Vaquero, J.J.

ChemMedChem (p. 2895-2906) - 2021

Editor: John Wiley and Sons Ltd

10.1002/cmdc.202100338 View at source

  • ISSN/ISBN 1860-7187

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

  • Sánchez-Alonso, P.
  • Griera, M.
  • García-Marín, J.
  • Rodríguez-Puyol, M.
  • Alajarín, R.
  • Vaquero, J.J.
  • Rodríguez-Puyol, D.
... View more Collapse

Bioorganic and Medicinal Chemistry - 2021

Editor: Elsevier Ltd

10.1016/j.bmc.2021.116295 View at source

  • ISSN/ISBN 1464-3391

Propuesta de un modelo computacional para el estudio de la selectividad de los inhibidores alostéricos de PTP1B

  • Javier García Marín

Anales de la Real Academia Nacional de Farmacia (p. 99-112) - 2020

Editor: Real Academia Nacional de Farmacia

  • ISSN/ISBN 1697-4271

Descifrando el mecanismo de inhibición de una pseudoquinasa: la quinasa ligada a integrinas y el cpd22

  • Javier García Marín

Anales de la Real Academia Nacional de Farmacia (p. 131-148) - 2022

Editor: Real Academia Nacional de Farmacia

  • ISSN/ISBN 1697-4271

Tripeptides as Integrin-Linked Kinase Modulating Agents Based on a Protein-Protein Interaction with α-Parvin

  • Garcia-Marin, J.
  • Griera-Merino, M.
  • Matamoros-Recio, A.
  • De Frutos, S.
  • Rodríguez-Puyol, M.
  • Alajarín, R.
  • Vaquero, J.J.
  • Rodríguez-Puyol, D.
... View more Collapse

ACS Medicinal Chemistry Letters (p. 1656-1662) - 2021

Editor: American Chemical Society

10.1021/acsmedchemlett.1c00183 View at source

  • ISSN/ISBN 1948-5875

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Last data update: 4/24/24 1:21 PM