Sergio M Marques

Sergio M Marques

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Sergio M Marques

Sergio M Marques

Publications by authors named "Sergio M Marques"

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Computational Study of Protein-Ligand Unbinding for Enzyme Engineering.

Front Chem 2018 8;6:650. Epub 2019 Jan 8.

Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment RECETOX, Faculty of Science, Masaryk University, Brno, Czechia.

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http://dx.doi.org/10.3389/fchem.2018.00650DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6331733PMC
January 2019

Transgenerational Inheritance of DNA Hypomethylation in Daphnia magna in Response to Salinity Stress.

Environ Sci Technol 2018 Sep 24;52(17):10114-10123. Epub 2018 Aug 24.

Laboratory for Environmental Toxicology and Aquatic Ecology (GhEnToxLab) , Ghent University , 9000 , Ghent , Belgium.

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http://dx.doi.org/10.1021/acs.est.8b03225DOI Listing
September 2018

Effects of a herbicide and copper mixture on the quality of marine plankton.

Ecotoxicol Environ Saf 2018 Jul 7;156:9-17. Epub 2018 Mar 7.

Research Unit in Environmental and Evolutionary Biology, Biology Department, University of Namur, Rue de Bruxelles 61, BE-5000 Namur, Belgium. Electronic address:

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http://dx.doi.org/10.1016/j.ecoenv.2018.02.038DOI Listing
July 2018

Synthesizing the role of epigenetics in the response and adaptation of species to climate change in freshwater ecosystems.

Mol Ecol 2018 07 10;27(13):2790-2806. Epub 2018 Jun 10.

Department of Biology, University of Aveiro, Aveiro, Portugal.

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http://dx.doi.org/10.1111/mec.14727DOI Listing
July 2018

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

FEBS J 2018 04 25;285(8):1456-1476. Epub 2018 Mar 25.

Loschmidt Laboratories, Department of Experimental Biology and, Research Centre for Toxic Compounds in the Environment (RECETOX), Faculty of Science, Masaryk University, Brno, Czech Republic.

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http://doi.wiley.com/10.1111/febs.14418
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http://dx.doi.org/10.1111/febs.14418DOI Listing
April 2018

Enzyme Tunnels and Gates As Relevant Targets in Drug Design.

Med Res Rev 2017 09 13;37(5):1095-1139. Epub 2016 Dec 13.

Loschmidt Laboratories, Faculty of Science, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment, RECETOX, Masaryk University, Kamenice 5, 625 00, Brno, Czech Republic.

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http://doi.wiley.com/10.1002/med.21430
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http://dx.doi.org/10.1002/med.21430DOI Listing
September 2017

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

J Chem Inf Model 2017 08 28;57(8):1970-1989. Epub 2017 Jul 28.

Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment RECETOX, Faculty of Science, Masaryk University , Kamenice 5/A13, 625 00 Brno, Czech Republic.

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http://dx.doi.org/10.1021/acs.jcim.7b00070DOI Listing
August 2017

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

Eur J Med Chem 2015 Jan 18;89:340-8. Epub 2014 Oct 18.

Department of Medical Biology, Faculty of Health Sciences, UiT - The Arctic University of Norway, NO-9037 Tromsø, Norway. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2014.10.009DOI Listing
January 2015

New bifunctional metalloproteinase inhibitors: an integrated approach towards biological improvements and cancer therapy.

J Inorg Biochem 2013 Oct 16;127:188-202. Epub 2013 Mar 16.

Centro de Química Estrutural, Instituto Superior Técnico, Universidade Técnica de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1016/j.jinorgbio.2013.03.003DOI Listing
October 2013

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

J Inorg Biochem 2013 Oct 26;127:220-31. Epub 2013 Jun 26.

Dipartimento di Scienze Chimiche e Geologiche, Università di Cagliari, Cittadella Universitaria, 09042 Monserrato Cagliari, Italy.

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http://dx.doi.org/10.1016/j.jinorgbio.2013.06.009DOI Listing
October 2013

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

Bioorg Med Chem 2013 Aug 24;21(15):4559-69. Epub 2013 May 24.

Centro de Quimica Estrutural, Instituto Superior Técnico, Universidade Técnica de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1016/j.bmc.2013.05.028DOI Listing
August 2013

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

Dalton Trans 2013 May 6;42(17):6033-45. Epub 2012 Dec 6.

Centro de Química Estrutural, Instituto Superior Técnico, Universidade Técnica de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1039/c2dt32361cDOI Listing
May 2013

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

Dalton Trans 2013 May 7;42(17):6046-57. Epub 2013 Jan 7.

Centro de Química Estrutural, Instituto Superior Técnico, Universidade Técnica de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1039/c2dt32237dDOI Listing
May 2013

Multifunctional iron-chelators with protective roles against neurodegenerative diseases.

Dalton Trans 2013 May 13;42(17):6058-73. Epub 2013 Mar 13.

Centro de Química Estrutural, Instituto Superior Técnico, Universidade Técnica de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1039/c3dt50406aDOI Listing
May 2013

Evaluation of growth, biochemical and bioaccumulation parameters in Pelophylax perezi tadpoles, following an in-situ acute exposure to three different effluent ponds from a uranium mine.

Sci Total Environ 2013 Feb 22;445-446:321-8. Epub 2013 Jan 22.

Departamento de Biologia da Universidade de Aveiro, Campus de Santiago, 3810-193 Aveiro, Portugal.

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http://dx.doi.org/10.1016/j.scitotenv.2012.12.080DOI Listing
February 2013

Differential gene expression in Iberian green frogs (Pelophylax perezi) inhabiting a deactivated uranium mine.

Ecotoxicol Environ Saf 2013 Jan 10;87:115-9. Epub 2012 Nov 10.

Departamento de Biologia da & CESAM-Centro de Estudos do Ambiente e do Mar, Universidade de Aveiro, Campus de Santiago, 3810-193 Aveiro, Portugal.

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http://dx.doi.org/10.1016/j.ecoenv.2012.10.010DOI Listing
January 2013

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

J Med Chem 2011 Dec 17;54(24):8289-98. Epub 2011 Nov 17.

Centro de Quı́mica Estrutural, Instituto Superior Técnico, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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https://pubs.acs.org/doi/10.1021/jm200593b
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http://dx.doi.org/10.1021/jm200593bDOI Listing
December 2011

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

J Enzyme Inhib Med Chem 2011 Aug 11;26(4):485-97. Epub 2010 Nov 11.

Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://www.tandfonline.com/doi/full/10.3109/14756366.2010.52
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http://dx.doi.org/10.3109/14756366.2010.529806DOI Listing
August 2011

Antioxidant response and metal accumulation in tissues of Iberian green frogs (Pelophylax perezi) inhabiting a deactivated uranium mine.

Ecotoxicology 2011 Aug 24;20(6):1315-27. Epub 2011 Apr 24.

CESAM (Centro de Estudos do Ambiente e do Mar) & Departamento de Biologia, Universidade de Aveiro, Campus de Santiago, 3810-193, Aveiro, Portugal.

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http://link.springer.com/content/pdf/10.1007/s10646-011-0688
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http://www.springerlink.com/index/HM17635Q8233W23T.pdf
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http://link.springer.com/10.1007/s10646-011-0688-z
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http://dx.doi.org/10.1007/s10646-011-0688-zDOI Listing
August 2011

New tris(hydroxypyridinones) as iron and aluminium sequestering agents: synthesis, complexation and in vivo studies.

Chemistry 2010 Sep;16(34):10535-45

Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1002/chem.201001335DOI Listing
September 2010

Pteridine-sulfonamide conjugates as dual inhibitors of carbonic anhydrases and dihydrofolate reductase with potential antitumor activity.

Bioorg Med Chem 2010 Jul 2;18(14):5081-9. Epub 2010 Jun 2.

Instituto Superior Técnico, Centro de Química Estrutural, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1016/j.bmc.2010.05.072DOI Listing
July 2010

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

Bioorg Med Chem Lett 2010 Jun 28;20(12):3623-7. Epub 2010 Apr 28.

LNEG, Unidade de Pilhas de Combustível e Hidrogénio, Estrada do Paço do Lumiar, Lisboa, Portugal.

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http://dx.doi.org/10.1016/j.bmcl.2010.04.109DOI Listing
June 2010

Toxicity and organic content characterization of olive oil mill wastewater undergoing a sequential treatment with fungi and photo-Fenton oxidation.

J Hazard Mater 2009 Dec 13;172(2-3):1560-72. Epub 2009 Aug 13.

ISEIT/Viseu, Instituto Piaget, Estrada do Alto do Gaio, Galifonge, 3515-776 Lordosa, Viseu, Portugal.

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http://dx.doi.org/10.1016/j.jhazmat.2009.08.028DOI Listing
December 2009

Multitemplate alignment method for the development of a reliable 3D-QSAR model for the analysis of MMP3 inhibitors.

J Chem Inf Model 2009 Jul;49(7):1715-24

Dipartimento di Scienze Farmaceutiche, Università di Pisa, via Bonanno 6, 56126 Pisa, Italy.

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http://dx.doi.org/10.1021/ci900118vDOI Listing
July 2009

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

J Med Chem 2008 Dec;51(24):7968-79

Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1021/jm800964fDOI Listing
December 2008

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

Bioorg Med Chem 2006 Nov 27;14(22):7539-50. Epub 2006 Jul 27.

Centro de Química Estrutural, Instituto Superior Técnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal.

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http://dx.doi.org/10.1016/j.bmc.2006.07.011DOI Listing
November 2006