Hugo Verli

Hugo Verli

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Hugo Verli

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Current Status of Carbohydrates Information in the Protein Data Bank.

J Chem Inf Model 2020 Jan 28. Epub 2020 Jan 28.

Programa de Pos-Graduacao em Biologia Celular e Molecular (PPGBCM), Centro de Biotecnologia , Universidade Federal do Rio Grande do Sul (UFRGS) , Av. Bento Goncalves, 9500 , Porto Alegre , Brazil 91509-900.

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http://dx.doi.org/10.1021/acs.jcim.9b00874DOI Listing
January 2020

The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains.

J Chem Inf Model 2019 Dec 10. Epub 2019 Dec 10.

Centro de Biotecnologia , Universidade Federal do Rio Grande do Sul , Porto Alegre , RS 91509-900 , Brazil.

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http://dx.doi.org/10.1021/acs.jcim.9b00904DOI Listing
December 2019

Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids.

J Phys Chem B 2019 Feb 25;123(5):994-1008. Epub 2019 Jan 25.

Centro de Biotecnologia , Universidade Federal do Rio Grande do Sul , Porto Alegre , RS 91500-970 , Brazil.

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http://dx.doi.org/10.1021/acs.jpcb.8b10139DOI Listing
February 2019

Dynamics of DDB2-DDB1 complex under different naturally-occurring mutants in Xeroderma Pigmentosum disease.

Biochim Biophys Acta Gen Subj 2018 12 6;1862(12):2579-2589. Epub 2018 Aug 6.

Biotechnology Center, Department of Molecular Biology and Biotechnology, Federal University of Rio Grande do Sul, Porto Alegre, RS, Brazil.

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https://linkinghub.elsevier.com/retrieve/pii/S03044165183024
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http://dx.doi.org/10.1016/j.bbagen.2018.08.007DOI Listing
December 2018

Antithrombin conformational modulation by D-myo-inositol 3,4,5,6-tetrakisphosphate (TMI), a novel scaffold for the development of antithrombotic agents.

J Biomol Struct Dyn 2018 Nov 11;36(15):4045-4056. Epub 2017 Dec 11.

a Centro de Biotecnologia , Universidade Federal do Rio Grande do Sul , Avenida Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970 , RS , Brazil.

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http://dx.doi.org/10.1080/07391102.2017.1407259DOI Listing
November 2018

Molecular docking and pharmacological/toxicological assessment of a new compound designed from celecoxib and paracetamol by molecular hybridization.

Inflammopharmacology 2018 Oct 23;26(5):1189-1206. Epub 2018 Jul 23.

Laboratory of Pharmacology of Natural and Synthetic Products, Department of Pharmacology, Institute of Biological Sciences, Federal University of Goiás, Campus Samambaia - ICB 2 - Sala 216, CP 131, Goiânia, GO, CEP 74001-970, Brazil.

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http://dx.doi.org/10.1007/s10787-018-0516-7DOI Listing
October 2018

All-Hydrocarbon Staples and Their Effect over Peptide Conformation under Different Force Fields.

J Chem Inf Model 2018 09 4;58(9):2015-2023. Epub 2018 Sep 4.

Programa de Pós-Graduação em Biologia Celular e Molecular, Centro de Biotecnologia , Universidade Federal do Rio Grande do Sul (UFRGS) , 91500-970 Porto Alegre - RS , Brazil.

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http://dx.doi.org/10.1021/acs.jcim.8b00404DOI Listing
September 2018

Everyone Is a Protagonist: Residue Conformational Preferences in High-Resolution Protein Structures.

J Comput Biol 2018 04 21;25(4):451-465. Epub 2017 Dec 21.

1 Center for Biotechnology, PPGBCM, Federal University of Rio Grande do Sul , Porto Alegre, Brazil .

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http://dx.doi.org/10.1089/cmb.2017.0182DOI Listing
April 2018

Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.

Front Pharmacol 2018 24;9:395. Epub 2018 Apr 24.

Grupo de Bioinformática Estrutural, Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre, Brazil.

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http://dx.doi.org/10.3389/fphar.2018.00395DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5928326PMC
April 2018

The role of Zn2+, dimerization and N-glycosylation in the interaction of Auxin-Binding Protein 1 (ABP1) with different auxins.

Glycobiology 2017 12;27(12):1109-1119

Center for Biotechnology, Federal University of Rio Grande do Sul (UFRGS), CP 15005, Porto Alegre, RS 91501-970, Brazil.

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http://dx.doi.org/10.1093/glycob/cwx080DOI Listing
December 2017

Putative model for heat shock protein 70 complexation with receptor of advanced glycation end products through fluorescence proximity assays and normal mode analyses.

Cell Stress Chaperones 2017 01 17;22(1):99-111. Epub 2016 Nov 17.

Department of Biochemistry, Institute of Basic Health Sciences, Federal University of Rio Grande do Sul, Porto Alegre, Rio Grande do Sul, Brazil.

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http://dx.doi.org/10.1007/s12192-016-0746-9DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5225064PMC
January 2017

Homology modeling and molecular dynamics provide structural insights into tospovirus nucleoprotein.

BMC Bioinformatics 2016 Dec 15;17(Suppl 18):489. Epub 2016 Dec 15.

Laboratório de Virologia Vegetal, Departamento de Biologia Celular, Instituto de Ciências Biológicas, Universidade de Brasília, Brasília, DF, Brazil.

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http://bmcbioinformatics.biomedcentral.com/articles/10.1186/
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http://dx.doi.org/10.1186/s12859-016-1339-4DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5249003PMC
December 2016

Induction of apoptosis in Ehrlich ascites tumour cells via p53 activation by a novel small-molecule MDM2 inhibitor - LQFM030.

J Pharm Pharmacol 2016 Sep 28;68(9):1143-59. Epub 2016 Jun 28.

Laboratório de Farmacologia e Toxicologia Celular, FarmaTec, Faculdade de Farmácia, Universidade Federal de Goiás, UFG, Goiânia, GO, Brazil.

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http://dx.doi.org/10.1111/jphp.12573DOI Listing
September 2016

The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen.

PLoS One 2015 2;10(7):e0132311. Epub 2015 Jul 2.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS, Brazil.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0132311PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489793PMC
May 2016

ESI-MS/MS of expanded porphyrins: a look into their structure and aromaticity.

J Mass Spectrom 2016 05;51(5):342-9

QOPNA-Organic Chemistry Laboratory, Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193, Aveiro, Portugal.

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http://dx.doi.org/10.1002/jms.3760DOI Listing
May 2016

Glycosylation is crucial for a proper catalytic site organization in human glucocerebrosidase.

Glycoconj J 2016 Apr 29;33(2):237-44. Epub 2016 Mar 29.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, P.O. BOX 15005, Porto Alegre, RS, 91500-970, Brazil.

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http://dx.doi.org/10.1007/s10719-016-9661-7DOI Listing
April 2016

[28]Hexaphyrin derivatives for anion recognition in organic and aqueous media.

Chem Commun (Camb) 2016 Feb;52(10):2181-4

QOPNA, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal. and Department of Organic and Macromolecular Chemistry, Ghent University, B-9000 Gent, Belgium.

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http://dx.doi.org/10.1039/c5cc08128aDOI Listing
February 2016

In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination.

Glycobiology 2015 Nov 28;25(11):1183-95. Epub 2015 Jul 28.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil

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http://dx.doi.org/10.1093/glycob/cwv053DOI Listing
November 2015

Structural glycobiology of human α1-acid glycoprotein and its implications for pharmacokinetics and inflammation.

Glycobiology 2015 Oct 18;25(10):1125-33. Epub 2015 Jun 18.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre, RS 91500-970, Brazil

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http://dx.doi.org/10.1093/glycob/cwv041DOI Listing
October 2015

Low Sugar Is Not Always Good: Impact of Specific O-Glycan Defects on Tip Growth in Arabidopsis.

Plant Physiol 2015 Jul 5;168(3):808-13. Epub 2015 May 5.

Instituto de Fisiología, Biología Molecular y Neurociencias (S.M.V., E.M., C.B., M.M.R., S.M., S.P.D.J., J.D.S.S., J.G.D., N.D.I., J.M.E.), and Departamento de Fisiología, Biología Molecular y Celular (N.D.I.), Laboratorio de Fisiología y Biología Molecular, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires C1428EGA, Argentina; Fundacion Instituto Leloir, Buenos Aires C1405BWE, Argentina (S.M.V., E.M., C.B., S.M., S.P.D.J., J.D.S.S., J.G.D., N.D.I., J.M.E.);Departamento de Química Fundamental, Universidade Federal de Pernambuco, Recife 50670-901, Brazil (L.P.-F.);Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre 90610-000, Brazil (L.P.-F., H.V.);Centre for Plant Sciences, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT, United Kingdom (S.E.M., J.P.K.); andCarnegie Institution for Science, Department of Plant Biology, Stanford, California 94305 (J.R.D.)

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http://dx.doi.org/10.1104/pp.114.255521DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4741341PMC
July 2015

Natural Plant Alkaloid (Emetine) Inhibits HIV-1 Replication by Interfering with Reverse Transcriptase Activity.

Molecules 2015 Jun 22;20(6):11474-89. Epub 2015 Jun 22.

Laboratório de Virologia Molecular, Departamento de Genética, Instituto de Biologia, Universidade Federal do Rio de Janeiro, Avenida Carlos Chagas Filho 373, Prédio CCS Bloco A, sala 121, 2º andar, CEP: 21941-902, Ilha do Fundão, Rio de Janeiro, Brazil.

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http://dx.doi.org/10.3390/molecules200611474DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272240PMC
June 2015

Structural glycobiology of heparinase II from Pedobacter heparinus.

J Biomol Struct Dyn 2014 28;32(7):1092-102. Epub 2013 Jun 28.

a Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul , Av Bento Gonçalves, 9500, CP 15005, Porto , Alegre , 91500-970 , Brazil .

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http://dx.doi.org/10.1080/07391102.2013.809604DOI Listing
April 2015

Dynamics on human Toll-like receptor 4 complexation to MD-2: the coreceptor stabilizing function.

Proteins 2015 Feb;83(2):373-82

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, CP 15005, Porto Alegre, 91500-970, RS, Brazil.

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http://dx.doi.org/10.1002/prot.24739DOI Listing
February 2015

Differential effect of solution conditions on the conformation of the actinoporins Sticholysin II and Equinatoxin II.

An Acad Bras Cienc 2014 Dec;86(4):1949-62

Centro de Biotecnologia, UFRGS, Porto Alegre, RS, Brasil.

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http://dx.doi.org/10.1590/0001-3765201420140270DOI Listing
December 2014

Extension and validation of the GROMOS 53A6(GLYC) parameter set for glycoproteins.

J Comput Chem 2014 Nov 5;35(29):2087-95. Epub 2014 Sep 5.

Biotechnology Center, Federal University of Rio Grande do Sul, Porto Alegre, RS, Brazil, 91500-970; Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, Brazil, 50670-540.

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http://dx.doi.org/10.1002/jcc.23721DOI Listing
November 2014

Jatrophidin I, a cyclic peptide from Brazilian Jatropha curcas L.: isolation, characterization, conformational studies and biological activity.

Phytochemistry 2014 Nov 5;107:91-6. Epub 2014 Sep 5.

Núcleo de Bioensaios, Biossíntese e Ecofisiologia de Produtos Naturais (NuBBE), Departamento de Química Orgânica, Instituto de Química, Universidade Estadual Paulista 'Julio de Mesquita Filho', CP 355, 14801-970 Araraquara, SP, Brazil. Electronic address:

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http://dx.doi.org/10.1016/j.phytochem.2014.08.006DOI Listing
November 2014

Effects of glycosylation and pH conditions in the dynamics of human arylsulfatase A.

J Biomol Struct Dyn 2014 Apr 13;32(4):567-79. Epub 2013 Apr 13.

a Laboratório de Identificação Genética , Centro de Pesquisas, Hospital de Clínicas de Porto Alegre , Rua Ramiro Barcelos, 2350, Porto Alegre , 90035-903 , RS , Brazil .

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http://dx.doi.org/10.1080/07391102.2013.780982DOI Listing
April 2014

Conformational characterization of ipomotaosides and their recognition by COX-1 and 2.

Molecules 2014 Apr 24;19(4):5421-33. Epub 2014 Apr 24.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CP 15005, Porto Alegre, RS 91500-970, Brazil.

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http://dx.doi.org/10.3390/molecules19045421DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270740PMC
April 2014

Structure-function studies on jaburetox, a recombinant insecticidal peptide derived from jack bean (Canavalia ensiformis) urease.

Biochim Biophys Acta 2014 Mar 14;1840(3):935-44. Epub 2013 Nov 14.

Graduate Program in Cellular and Molecular Biology, Center of Biotechnology, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS, Brazil; Department of Molecular Biology and Biotechnology, UFRGS, Porto Alegre, RS, Brazil. Electronic address:

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http://dx.doi.org/10.1016/j.bbagen.2013.11.010DOI Listing
March 2014

Atomic model and micelle dynamics of QS-21 saponin.

Molecules 2014 Mar 24;19(3):3744-60. Epub 2014 Mar 24.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.3390/molecules19033744DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271892PMC
March 2014

Evidence-based docking of the urease activation complex.

J Biomol Struct Dyn 2013 10;31(8):854-61. Epub 2012 Sep 10.

Graduate Program in Cellular and Molecular Biology, Center of Biotechnology, Universidade Federal do Rio Grande do Sul-UFRGS, Porto Alegre, RS, Brazil.

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http://dx.doi.org/10.1080/07391102.2012.713782DOI Listing
February 2014

Structural glycobiology of heparin dynamics on the exosite 2 of coagulation cascade proteases: Implications for glycosaminoglycans antithrombotic activity.

Glycobiology 2014 Jan 7;24(1):97-105. Epub 2013 Nov 7.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1093/glycob/cwt095DOI Listing
January 2014

On the catalytic mechanism of polysaccharide lyases: evidence of His and Tyr involvement in heparin lysis by heparinase I and the role of Ca2+.

Mol Biosyst 2014 Jan;10(1):54-64

Disciplina de Biologia Molecular, Departamento de Bioquímica, Universidade Federal de São Paulo, Escola Paulista de Medicina, Rua Três de Maio, 100, CEP 04044-020, São Paulo, SP, Brazil.

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http://dx.doi.org/10.1039/c3mb70370cDOI Listing
January 2014

Improving the thrombin inhibitory activity of glycyrrhizin, a triterpenic saponin, through a molecular simplification of the carbohydrate moiety.

Chem Biol Drug Des 2013 Dec 25;82(6):756-60. Epub 2013 Oct 25.

Laboratório de Diversidade Molecular e Química Medicinal (LaDMol-QM), Departamento de Química, Instituto de Ciências Exatas, Universidade Federal Rural do Rio de Janeiro, Rodovia BR-465, Km. 7, Seropédica, RJ, 23897-000, Brazil.

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http://dx.doi.org/10.1111/cbdd.12204DOI Listing
December 2013

A specific interdomain interaction preserves the structural and binding properties of the ModA protein from the phytopathogen Xanthomonas citri domain interaction and transport in ModA.

Arch Biochem Biophys 2013 Nov 12;539(1):20-30. Epub 2013 Sep 12.

Laboratório Nacional de Biociências (LNBio), Centro de Pesquisas em Energia e Materiais (CNPEM), Campinas, SP, Brazil.

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http://dx.doi.org/10.1016/j.abb.2013.09.003DOI Listing
November 2013

Structural characterization of NETNES glycopeptide from Trypanosoma cruzi.

Carbohydr Res 2013 May 21;373:28-34. Epub 2013 Mar 21.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.carres.2013.03.010DOI Listing
May 2013

3-to-1: unraveling structural transitions in ureases.

Naturwissenschaften 2013 May 26;100(5):459-67. Epub 2013 Apr 26.

Graduate Program in Cellular and Molecular Biology, Center of Biotechnology, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS, Brazil.

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http://dx.doi.org/10.1007/s00114-013-1045-2DOI Listing
May 2013

Anticoagulant activity of a unique sulfated pyranosic (1->3)-β-L-arabinan through direct interaction with thrombin.

J Biol Chem 2013 Jan 16;288(1):223-33. Epub 2012 Nov 16.

Cátedra de Química de Biomoléculas, Departamento de Biología Aplicada y Alimentos, Facultad de Agronomía, Universidad de Buenos Aires, Av San Martín 4453, 1417 Buenos Aires, Argentina.

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http://dx.doi.org/10.1074/jbc.M112.386441DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3537017PMC
January 2013

Antithrombotic effect of chikusetsusaponin IVa isolated from Ilex paraguariensis (Maté).

J Med Food 2012 Dec 7;15(12):1073-80. Epub 2012 Nov 7.

Faculty of Pharmacy, Federal University of Rio Grande do Sul , Porto Alegre, Rio Grande do Sul, Brazil.

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http://dx.doi.org/10.1089/jmf.2011.0320DOI Listing
December 2012

GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates.

J Chem Theory Comput 2012 Nov 18;8(11):4681-90. Epub 2012 Sep 18.

Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, PE, Brazil.

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http://dx.doi.org/10.1021/ct300479hDOI Listing
November 2012

Structural glycobiology of the major allergen of Artemisia vulgaris pollen, Art v 1: O-glycosylation influence on the protein dynamics and allergenicity.

Glycobiology 2012 Jun 23;22(6):817-25. Epub 2012 Feb 23.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970 RS, Brazil.

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http://dx.doi.org/10.1093/glycob/cws056DOI Listing
June 2012

Venomous mammals: a review.

Toxicon 2012 Jun 3;59(7-8):680-95. Epub 2012 Mar 3.

Graduate Program in Cellular and Molecular Biology, Center of Biotechnology, Department of Biophysics-IB, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS, Brazil.

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http://dx.doi.org/10.1016/j.toxicon.2012.02.012DOI Listing
June 2012

Unrestrained conformational characterization of Stenocereus eruca saponins in aqueous and nonaqueous solvents.

J Nat Prod 2012 Jun 13;75(6):1196-200. Epub 2012 Jun 13.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CP 15005, Porto Alegre, 91500-970, RS, Brazil.

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http://dx.doi.org/10.1021/np3000393DOI Listing
June 2012

Characterization of JBURE-IIb isoform of Canavalia ensiformis (L.) DC urease.

Biochim Biophys Acta 2011 Dec 28;1814(12):1758-68. Epub 2011 Jul 28.

Center of Biotechnology, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.

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http://dx.doi.org/10.1016/j.bbapap.2011.07.022DOI Listing
December 2011

Dynamics of different arachidonic acid orientations bound to prostaglandin endoperoxide synthases.

Eur J Med Chem 2011 Oct 16;46(10):5212-7. Epub 2011 Aug 16.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.ejmech.2011.08.016DOI Listing
October 2011

Effects of glycosylation on heparin binding and antithrombin activation by heparin.

Proteins 2011 Sep 18;79(9):2735-45. Epub 2011 Jul 18.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1002/prot.23102DOI Listing
September 2011

O-glycosylated cell wall proteins are essential in root hair growth.

Science 2011 Jun;332(6036):1401-3

Instituto de Fisiología, Biología Molecular y Neurociencias-Consejo Nacional de Investigaciones Científicas y Técnicas (IFIByNE-CONICET), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires C1428EGA, Argentina.

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http://dx.doi.org/10.1126/science.1206657DOI Listing
June 2011

An unprecedented neolignan skeleton from Chimarrhis turbinata.

J Nat Prod 2011 Mar 22;74(3):487-91. Epub 2011 Feb 22.

Departamento de Química, Faculdade de Filosofia Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, 14040-901, São Paulo, Brazil.

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http://pubs.acs.org/doi/abs/10.1021/np1007476
Publisher Site
http://dx.doi.org/10.1021/np1007476DOI Listing
March 2011

Solution conformation and dynamics of exopolysaccharides from Burkholderia species.

Carbohydr Res 2010 Sep 25;345(13):1922-31. Epub 2010 Jun 25.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.carres.2010.06.010DOI Listing
September 2010

Characterization of the conformational ensemble from bioactive N-acylhydrazone derivatives.

J Mol Graph Model 2010 Jan 30;28(5):446-54. Epub 2009 Oct 30.

Programa de Pós-Graduação em Biologia Celular e Molecular, Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.jmgm.2009.10.004DOI Listing
January 2010

Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases.

Biochim Biophys Acta 2009 Jun 28;1794(6):873-81. Epub 2009 Mar 28.

Faculdade de Farmácia, Universidade Federal do Rio de Janeiro, 21941-590, Rio de Janeiro, RJ, Brazil.

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http://dx.doi.org/10.1016/j.bbapap.2009.03.011DOI Listing
June 2009

GROMOS96 43a1 performance on the characterization of glycoprotein conformational ensembles through molecular dynamics simulations.

Carbohydr Res 2009 Mar 3;344(4):491-500. Epub 2009 Jan 3.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, RS, Brazil.

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http://dx.doi.org/10.1016/j.carres.2008.12.025DOI Listing
March 2009

Structural studies of the Enterococcus faecalis SufU [Fe-S] cluster protein.

BMC Biochem 2009 Feb 2;10. Epub 2009 Feb 2.

Programa de Pós-Graduação em Biologia Celular e Molecular, Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre, Brazil.

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http://dx.doi.org/10.1186/1471-2091-10-3DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2644719PMC
February 2009

Characterization of the papillomavirus alpha(1)E2 peptide unfolded to folded transition upon DNA binding.

FEBS Lett 2008 Oct 1;582(25-26):3619-24. Epub 2008 Oct 1.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.febslet.2008.09.041DOI Listing
October 2008

Depiction of the forces participating in the 2-O-sulfo-alpha-L-iduronic acid conformational preference in heparin sequences in aqueous solutions.

Carbohydr Res 2008 Jul 22;343(9):1435-45. Epub 2008 Apr 22.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.carres.2008.04.016DOI Listing
July 2008

Pharmacokinetic evaluation of LASSBio-579: an N-phenylpiperazine antipsychotic prototype.

J Pharm Pharmacol 2008 Jun;60(6):699-707

Programa de Pós-Graduação em Ciências Farmacêuticas, Universidade Federal do Rio Grande do Sul, Av. Ipiranga, 2752, Porto Alegre, RS 90610-000, Brazil.

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http://dx.doi.org/10.1211/jpp.60.6.0004DOI Listing
June 2008

Molecular dynamics analysis of HIV-1 matrix protein: clarifying differences between crystallographic and solution structures.

J Mol Graph Model 2007 Jul 26;26(1):62-8. Epub 2006 Sep 26.

Faculdade de Farmácia, Universidade Federal do Rio Grande do Sul, Av. Ipiranga 2752, Porto Alegre 90610-000, RS, Brazil.

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https://linkinghub.elsevier.com/retrieve/pii/S10933263060012
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http://dx.doi.org/10.1016/j.jmgm.2006.09.009DOI Listing
July 2007

Conformation of sulfated galactan and sulfated fucan in aqueous solutions: implications to their anticoagulant activities.

J Mol Graph Model 2007 Jul 19;26(1):391-9. Epub 2007 Jan 19.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, Brazil.

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http://dx.doi.org/10.1016/j.jmgm.2007.01.008DOI Listing
July 2007

Structural and functional behavior of biologically active monomeric melittin.

J Mol Graph Model 2007 Mar 14;25(6):767-72. Epub 2006 Aug 14.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.jmgm.2006.06.006DOI Listing
March 2007

Anxiolytic effects of erythrinian alkaloids from Erythrina mulungu.

J Nat Prod 2007 Jan;70(1):48-53

Department of Psychobiology, FFCLRP, University of São Paulo, Avenida Bandeirantes, 3900, 14040-901 Ribeirão Preto, SP, Brazil.

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http://dx.doi.org/10.1021/np060254jDOI Listing
January 2007

Insights into the induced fit mechanism in antithrombin-heparin interaction using molecular dynamics simulations.

J Mol Graph Model 2005 Dec 16;24(3):203-12. Epub 2005 Sep 16.

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves, 9500, CP 15005, Porto Alegre 91500-970, RS, Brazil.

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http://dx.doi.org/10.1016/j.jmgm.2005.07.002DOI Listing
December 2005

Low accumulation of L90M in protease from subtype F HIV-1 with resistance to protease inhibitors is caused by the L89M polymorphism.

J Infect Dis 2005 Jun 28;191(11):1961-70. Epub 2005 Apr 28.

Department of Genetics, Biology Institute, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.

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http://dx.doi.org/10.1086/430002DOI Listing
June 2005

Molecular dynamics and atomic charge calculations in the study of heparin conformation in aqueous solution.

Carbohydr Res 2005 Jun;340(8):1499-507

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre, Brazil.

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http://dx.doi.org/10.1016/j.carres.2005.03.018DOI Listing
June 2005

New optimized piperamide analogues with potent in vivo hypotensive properties.

Eur J Pharm Sci 2004 Dec;23(4-5):363-9

LASSBio-Laboratório de Avaliação e Síntese de Substâncias Bioativas, Faculdade de Farmácia, Universidade Federal do Rio de Janeiro, C.P. 68006, 21944-970, Rio de Janeiro, RJ, Brazil.

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http://dx.doi.org/10.1016/j.ejps.2004.08.011DOI Listing
December 2004

Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution.

Carbohydr Res 2004 Jan;339(2):281-90

Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves, 9500, CP 15005, 91500-970, RS, Porto Alegre, Brazil.

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http://dx.doi.org/10.1016/j.carres.2003.09.026DOI Listing
January 2004

Turbinatine, a potential key intermediate in the biosynthesis of corynanthean-type indole alkaloids.

J Nat Prod 2003 Jul;66(7):1017-21

Instituto de Química, Universidade Estadual Paulista, UNESP, CP 355, CEP 14-801-970, Araraquara, São Paulo, Brazil.

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http://dx.doi.org/10.1021/np020547mDOI Listing
July 2003

Design, synthesis, and pharmacological profile of novel fused pyrazolo[4,3-d]pyridine and pyrazolo[3,4-b][1,8]naphthyridine isosteres: a new class of potent and selective acetylcholinesterase inhibitors.

J Med Chem 2003 Mar;46(7):1144-52

Laboratório de Avaliação e Síntese de Substâncias Bioativas (LASSBio), Faculdade de Farmácia, Universidade Federal do Rio de Janeiro, C. P. 68.006, 21944-910, Rio de Janeiro, RJ, Brazil.

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http://dx.doi.org/10.1021/jm020391nDOI Listing
March 2003

Local intersection volume: a new 3D descriptor applied to develop a 3D-QSAR pharmacophore model for benzodiazepine receptor ligands.

Eur J Med Chem 2002 Mar;37(3):219-29

Laboratório de Avaliação e Síntese de Substâncias Bioativas (LASSBio), Departamento de Fármacos, Faculdade de Farmácia, Centro de Ciências da Saúde, Universidade Federal do Rio de Janeiro, CP 68006, Rio de Janeiro, RJ 21944-970, Brazil.

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http://dx.doi.org/10.1016/s0223-5234(02)01334-xDOI Listing
March 2002