Lista de obras -

A family of hydroxypyrone ligands designed and synthesized as iron chelators.

artículo científico publicado en 2013

A gallium complex with a new tripodal tris-hydroxypyridinone for potential nuclear diagnostic imaging: solution and in vivo studies of 67Ga-labeled species

artículo científico publicado en 2010

A new bis-3-hydroxy-4-pyrone as a potential therapeutic iron chelating agent. Effect of connecting and side chains on the complex structures and metal ion selectivity

artículo científico publicado en 2014

A novel tripodal tris-hydroxypyrimidinone sequestering agent for trivalent hard metal ions: synthesis, complexation and in vivo studies

scientific article published on 06 December 2012

Alkylaryl-amino derivatives of 3-hydroxy-4-pyridinones as aluminium chelating agents with potential clinical application.

artículo científico publicado en 2003

Bifunctional phenolic-choline conjugates as anti-oxidants and acetylcholinesterase inhibitors

artículo científico publicado en 2010

CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

artículo científico publicado en 2018

Carbonic anhydrase inhibitors: Inhibition of cytosolic/tumor-associated isoforms I, II, and IX with iminodiacetic carboxylates/hydroxamates also incorporating benzenesulfonamide moieties

scientific article published on 08 January 2007

Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling

artículo científico publicado en 2017

CaverDock: A Novel Method for the Fast Analysis of Ligand Transport

scientific article published on 26 March 2019

CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels

scientific article published on 01 December 2019

Computational Study of Protein-Ligand Unbinding for Enzyme Engineering

artículo científico publicado en 2018

Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst

artículo científico publicado en 2020

Design, synthesis and molecular modeling study of iminodiacetyl monohydroxamic acid derivatives as MMP inhibitors

scientific article published on 27 July 2006

Design, synthesis and neuroprotective evaluation of novel tacrine-benzothiazole hybrids as multi-targeted compounds against Alzheimer's disease.

artículo científico publicado en 2013

Dual inhibitors of matrix metalloproteinases and carbonic anhydrases: iminodiacetyl-based hydroxamate-benzenesulfonamide conjugates.

artículo científico publicado en 2008

Enzyme Tunnels and Gates As Relevant Targets in Drug Design.

artículo científico publicado en 2016

Iminodiacetyl-hydroxamate derivatives as metalloproteinase inhibitors: equilibrium complexation studies with Cu(II), Zn(II) and Ni(II).

artículo científico publicado en 2003

Impact of the access tunnel engineering on catalysis is strictly ligand-specific

artículo científico publicado en 2018

Inhibition of pseudolysin and thermolysin by hydroxamate-based MMP inhibitors.

artículo científico publicado en 2014

Multifunctional iron-chelators with protective roles against neurodegenerative diseases.

artículo científico publicado en 2013

Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors

article

N-Carboxyalkyl derivatives of 3-hydroxy-4-pyridinones: synthesis, complexation with Fe(III), Al(III) and Ga(III) and in vivo evaluation.

artículo científico publicado en 2002

NMDA Receptor Opening and Closing-Transitions of a Molecular Machine Revealed by Molecular Dynamics

scientific article published on 28 September 2019

New hydroxypyrimidinone-containing sulfonamides as carbonic anhydrase inhibitors also acting as MMP inhibitors.

artículo científico publicado en 2010

New tris-3,4-HOPO lanthanide complexes as potential imaging probes: complex stability and magnetic properties

scientific article published on 07 January 2013

Novel 1-hydroxypiperazine-2,6-diones as new leads in the inhibition of metalloproteinases.

artículo científico publicado en 2011

Searching for new aluminium chelating agents: a family of hydroxypyrone ligands.

artículo científico publicado en 2013

Lista de obras de

A family of hydroxypyrone ligands designed and synthesized as iron chelators.

A gallium complex with a new tripodal tris-hydroxypyridinone for potential nuclear diagnostic imaging: solution and in vivo studies of 67Ga-labeled species

A new bis-3-hydroxy-4-pyrone as a potential therapeutic iron chelating agent. Effect of connecting and side chains on the complex structures and metal ion selectivity

A novel tripodal tris-hydroxypyrimidinone sequestering agent for trivalent hard metal ions: synthesis, complexation and in vivo studies

Alkylaryl-amino derivatives of 3-hydroxy-4-pyridinones as aluminium chelating agents with potential clinical application.

Bifunctional phenolic-choline conjugates as anti-oxidants and acetylcholinesterase inhibitors

CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

Carbonic anhydrase inhibitors: Inhibition of cytosolic/tumor-associated isoforms I, II, and IX with iminodiacetic carboxylates/hydroxamates also incorporating benzenesulfonamide moieties

Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling

CaverDock: A Novel Method for the Fast Analysis of Ligand Transport

CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels

Computational Study of Protein-Ligand Unbinding for Enzyme Engineering

Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst

Design, synthesis and molecular modeling study of iminodiacetyl monohydroxamic acid derivatives as MMP inhibitors

Design, synthesis and neuroprotective evaluation of novel tacrine-benzothiazole hybrids as multi-targeted compounds against Alzheimer's disease.

Dual inhibitors of matrix metalloproteinases and carbonic anhydrases: iminodiacetyl-based hydroxamate-benzenesulfonamide conjugates.

Enzyme Tunnels and Gates As Relevant Targets in Drug Design.

Iminodiacetyl-hydroxamate derivatives as metalloproteinase inhibitors: equilibrium complexation studies with Cu(II), Zn(II) and Ni(II).

Impact of the access tunnel engineering on catalysis is strictly ligand-specific

Inhibition of pseudolysin and thermolysin by hydroxamate-based MMP inhibitors.

Multifunctional iron-chelators with protective roles against neurodegenerative diseases.

Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors

N-Carboxyalkyl derivatives of 3-hydroxy-4-pyridinones: synthesis, complexation with Fe(III), Al(III) and Ga(III) and in vivo evaluation.

NMDA Receptor Opening and Closing-Transitions of a Molecular Machine Revealed by Molecular Dynamics

New hydroxypyrimidinone-containing sulfonamides as carbonic anhydrase inhibitors also acting as MMP inhibitors.

New tris-3,4-HOPO lanthanide complexes as potential imaging probes: complex stability and magnetic properties

Novel 1-hydroxypiperazine-2,6-diones as new leads in the inhibition of metalloproteinases.

Searching for new aluminium chelating agents: a family of hydroxypyrone ligands.

Substrate Anchoring and Flexibility Reduction in CYP153A M.aq Leads to Highly Improved Efficiency toward Octanoic Acid