List of works - Sérgio Marques

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

scientific article published on 26 June 2013

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

scientific article published on 07 October 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

scientific article published on 16 September 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.

scientific article published in September 2003

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

scientific article published on 11 November 2010

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

scientific article published on 01 October 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

scientific article published on 11 July 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

scientific article published on 01 January 2018

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

scientific article published on 11 September 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.

scientific article published on 24 May 2013

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

scientific article published in December 2008

Enzyme Tunnels and Gates As Relevant Targets in Drug Design.

scientific article

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

scientific article published in December 2003

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

scientific article published on 25 February 2018

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

scientific article published on 18 October 2014

Multifunctional iron-chelators with protective roles against neurodegenerative diseases.

scientific article published on 13 March 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.

scientific article published in September 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.

scientific article published on 28 April 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.

scientific article published on 17 November 2011

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

scientific article published on 18 October 2013

List of works by Sérgio Marques