Trabalhos Publicados

Ramos, C. I.; Figueira, F.; Polêto, M. D.; Amado, F. M.; Verli, H.; Tomé, J. P.; Neves, M. G.: ESI-MS/MS of expanded porphyrins: a look into their structure and aromaticity. J. Mass Spectrom., 2016, 51, 342-349. http://dx.doi.org/10.1002/jms.3760

 

Pol-Fachin, L.; Siebert, M.; Verli, H.; Saraiva-Pereira, M. L.: Glycosylation is crucial for a proper catalytic site organization in human glucocerebrosidase. Glycoconj. J., 2016, 33, 237-244. http://dx.doi.org/10.1007/s10719-016-9661-7

 

Figueira, F.; Farinha, A. S.; Muteto, P. V.; Polêto, M. D.; Verli, H.; Gomes, M. T.; Tomé, A. C.; Cavaleiro, J. A.; Tomé, J. P.: [28]Hexaphyrin derivatives for anion recognition in organic and aqueous media. Chem. Commun., 2016, 52, 2181-2184. http://dx.doi.org/10.1039/c5cc08128a

Pedebos, C.; Arantes, P. R.; Giesel, G. M.; Verli, H.: In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination. Glycobiology, 2015, 25, 1183-1195. http://dx.doi.org/10.1093/glycob/cwv053

 

Ligabue-Braun, R.; Sachett, L. G.; Pol-Fachin, L.; Verli, H.: The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen. PLoS One, 2015, 10, e0132311. http://dx.doi.org/10.1371/journal.pone.0132311

 

Pinto, M. E.; Batista, J. M. Jr.; Koehbach, J.; Gaur, P.; Sharma, A.; Nakabashi, M.; Cilli, E. M.; Giesel, G. M.; Verli, H.; Gruber, C. W.; Blanch, E. W.; Tavares, J. F.; da Silva, M. S.; Garcia, C. R.; Bolzani, V. S.: Ribifolin, an orbitide from Jatropha ribifolia, and its potential antimalarial activity. J. Nat. Prod., 2015, 78, 374-380. http://dx.doi.org/10.1021/np5007668

 

Fernandes, C. L.; Ligabue-Braun, R.; Verli, H.: Structural glycobiology of human α1-acid glycoprotein and its implications for pharmacokinetics and inflammation. Glycobiology, 2015, [Epub ahead of print]. http://dx.doi.org/10.1093/glycob/cwv041

 

Chaves Valadão, AL; Abreu, C. M.; Dias, J. Z.; Arantes, P.; Verli, H.; Tanuri, A.; de Aguiar, R. S.: Natural Plant Alkaloid (Emetine) Inhibits HIV-1 Replication by Interfering with Reverse Transcriptase Activity. Molecules, 2015, 20, 11474-11489. http://dx.doi.org/10.3390/molecules200611474

 

de Aguiar, C.; Costa, M.G.S.; Verli, H.: Dynamics on human Toll-like receptor 4 complexation to MD-2: The coreceptor stabilizing function. Proteins, 2015, 83, 373–382. http://dx.doi.org/10.1002/prot.24739

Fauth, E.V.F.; Cilli, E. M.; Ligabue-Braun, R.; Verli, H.: Differential Effect of Solution Conditions on the Conformation of the Actinoporins Sticholysin II and Equinatoxin II. An. Acad. Bras. Ciênc., 2014, 86, 1949-1962. http://dx.doi.org/10.1590/0001-3765201420140270

 

Schachter, J.; Valadao, A.L.; Aguiar, R.S.; Barreto-de-Souza, V.; Rossi, A.D.; Arantes, P.R.; Verli, H.; Quintana, P.G.; Heise, N.; Tanuri, A.; Bou-Habib, D.C.; Persechini, P.M.: 2´,3´-Dialdehyde of ATP, ADP, and Adenosine Inhibit HIV-1 Reverse Transcriptase and HIV-1 Replication. Curr. HIV Res., 2014, 12, 347-358. http://dx.doi.org/10.2174/1570162X12666140826105824

 

Altei, W.F.; Picchi, D.G.; Abissi, B.M.; Giesel, G.M.; Flausino, O. Jr.; Reboud-Ravaux, M.; Verli, H.; Crusca, E. Jr.; Silveira, E.R.; Cilli, E.M.; Bolzani, V.S.: Jatrophidin I, a cyclic peptide from Brazilian Jatropha curcas L.: Isolation, characterization, conformational studies and biological activity. Phytochemistry, 2014, 14, 00321-00325. http://dx.doi.org/10.1016/j.phytochem.2014.08.006

 

Pol-Fachin, L.; Verli, H.; Lins, R.D.: Extension and validation of the GROMOS 53A6GLYC parameter set for glycoproteins. J Comput Chem., 2014, 35, 2087-2095. http://dx.doi.org/10.1002/jcc.23721

 

Dalla-Vechia, L.; Janine Kiekow, C.; Correa Ramos Leal, I.; Regina Netto Dos Santos, K.; Cristina Baggio Gnoatto, S.; Verli, H.; Octavio Mendonca Alves de Souza, R.; Gosmann, G.: Synthesis of Oxygenated Chalcones with Anti-Staphylococcal Activity. Lett. Drug. Des. Discov., 2014, 5, 525-530. http://dx.doi.org/10.2174/1570180810666131125221032

 

Arantes, P.R.; Sachett, L.G.; Graebin, C.S.; Verli, H.: Conformational Characterization of Ipomotaosides and Their Recognition by COX-1 and 2. Molecules201419, 5421-5433. http://dx.doi.org/10.3390/molecules19045421

 

Pedebos, C.; Pol-Fachin, L.; Pons, R.; Teixeira, C.V.; Verli, H.: Atomic Model and Micelle Dynamics of QS-21 Saponin. Molecules, 201419, 3744-3760. http://dx.doi.org/10.3390/molecules19033744

 

Virgens, M.Y.; Pol-Fachin, L.; Verli, H.; Saraiva-Pereira, M.L.: Effects of glycosylation and pH conditions in the dynamics of human arylsulfatase A. J. Biomol. Struct. Dyn., 2014, 32, 567-579. http://dx.doi.org/10.1080/07391102.2013.780982

 

Martinelli, A.H.; Kappaun, K.; Ligabue-Braun, R.; Defferrari, M.S.; Piovesan, A.R.; Stanisçuaski, F.; Demartini, D.R.; Dal Belo, C.A.; Almeida, C.G.; Follmer, C.; Verli, H.; Carlini, C.R.; Pasquali, G.: Structure-function studies on jaburetox, a recombinant insecticidal peptide derived from jack bean (Canavalia ensiformis) urease. Biochim. Biophys. Acta, 2014, 1840, 935-944. http://dx.doi.org/10.1016/j.bbagen.2013.11.010

 

Pol-Fachin, L.; Verli, H.: Structural glycobiology of heparin dynamics on the exosite 2 of coagulation cascade proteases: Implications for glycosaminoglycans antithrombotic activity. Glycobiology, 2014, 24, 97-105. http://dx.doi.org/10.1093/glycob/cwt095

 

Córdula, C.R.; Lima, M.A.; Shinjo, S.K.; Gesteira, T.F.; Pol-Fachin, L.; Coulson-Thomas, V.J.; Verli, H.; Yates, E.A.; Rudd, T.R.; Pinhal, M.A.; Toma, L.; Dietrich, C.P.; Nader, H.B.; Tersariol, I.L: 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, 10, 54-64. http://dx.doi.org/10.1039/c3mb70370c

Ligabue-Braun, R.; Andreis, F.C.; Verli, H.; Carlini, C.R.: 3-to-1: unraveling structural transitions in ureases. Naturwissenschaften, 2013, 100, 459-467.  http://dx.doi.org/10.1007/s00114-013-1045-2

 

Chiodi, C.G.; Verli, H.: Structural characterization of NETNES glycopeptide from Trypanosoma cruzi. Carbohydr. Res., 2013, 373, 28-34. http://dx.doi.org/10.1016/j.carres.2013.03.010

 

Fernandez, P.V.; Quintana, I.; Cerezo, A.S.; Caramelo, J.J.; Pol-Fachin, L.; Verli, H.; Estevez, J.M.; Ciancia, M.: Anticoagulant Activity of a Unique Sulfated Pyranosic (1→3)-β-L-Arabinan through Direct Interaction with Thrombin. J. Biol. Chem., 2013, 288, 223-233. http://dx.doi.org/10.1074/jbc.M112.386441

 

Ligabue-Braun, R.; Real-Guerra, R.; Carlini, C.R.; Verli, H.: Evidence-based docking of the urease activation complex. J. Biom. Struct. Dyn., 201331, 854-861. http://dx.doi.org/10.1080/07391102.2012.713782

Dahmer, T.; Berger, M.; Barlette, A.G.; Reck, J.; Segalin, J.; Verza, S.; Ortega, G.G.; Gnoatto, S.C.B.; Guimarães, J.A.; Verli, H.; Gosmann, G.: Antithrombotic Effect of Chikusetsusaponin IVa Isolated from (Maté). J. Med. Food, 2012, 15, 1073-1080. http://dx.doi.org/10.1089/jmf.2011.0320

 

Danuello, A.; Romeiro, N.C.; Giesel, G.M.; Pivatto, M.; Viegas Junior, C.; Verli, H.; Barreiro, E.J.; Fraga, C.A.M.; Castro, N.G.; Bolzani, V.S.: Molecular docking and molecular dynamic studies of semi-synthetic piperidine alkaloids as acetylcholinesterase inhibitors. J. Braz. Chem. Soc., 2012, 23, 163-170. http://dx.doi.org/10.1590/S0103-50532012000100023

 

Ligabue-Braun, R.; Verli, H.; Carlini, C.R.: Venomous mammals: A review. Toxicon, 2012, 59, 680-695. http://dx.doi.org/10.1016/j.toxicon.2012.02.012

 

Pedebos, C.; Pol-Fachin, L.; Verli, H.: Unrestrained Conformational Characterization of Stenocereus eruca Saponins in Aqueous and Nonaqueous Solvents. J. Nat. Prod., 2012, 75, 1196-1200. http://dx.doi.org/10.1021/np3000393

 

Pol-Fachin, L.; Rusu, V.H.; Verli, H.; Lins, R.D.: GROMOS 53A6GLYC, an improved force field for hexopyranose-based carbohydrates. J. Chem. Theory Comp., 2012, 8, 4681-4690. http://dx.doi.org/10.1021/ct300479h

 

Pol-Fachin, L.; Verli, H.: Structural glycobiology of the major allergen of Artemisia vulgaris pollen, Art v 1: O-glycosylation influence on the protein dynamics and allergenicity. Glycobiology, 201222, 817-825. http://dx.doi.org/10.1093/glycob/cws056

Cardoso, C.L.; Castro-Gamboa, I.; Bergamini, G.M.; Cavalheiro, A.J.; Silva, D.H.S.; Lopes, M.N.; Araujo, A.R.; Furlan, M.; Verli, H.; Bolzani, V.S.: An Unprecedented Neolignan Skeleton from Chimarrhis turbinata. J. Nat. Prod., 2011, 74, 487-491. http://dx.doi.org/10.1021/np1007476

 

Giordani, R.B.; de Andrade, J.P.; Verli, H.; Dutilh, J.H.; Henriques, A.T.; Berkov, S.; Bastida, J.; Zuanazzi, J.A.S.: Alkaloids from Hippeastrum morelianum Lem. (Amaryllidaceae). Magn. Reson. Chem., 2011, 49, 668-672. http://dx.doi.org/10.1002/mrc.2794

 

Lazzarotto, F.; Teixeira, F.K.; Rosa, S.B.; Dunand, C.; Fernandes, C.L.; de Vasconcelos Fontenele, A.; Silveira, J.A.G.; Verli, H.; Margis, R.; Margis-Pinheiro, M.: Ascorbate peroxidase-related (APx-R) is a new heme-containing protein functionally associated with ascorbate peroxidase but evolutionarily divergent. New Phytol., 2011, 191, 234-250. http://dx.doi.org/10.1111/j.1469-8137.2011.03659.x

 

Mulinari, F.; Becker-Ritt, A.B.; Dermartini, D.R.; Staniscuaski, F.; Ligabue-Braun, R.; Verli, H.; Fragoso, R.R.; Schroeder, E.K.; Carlini, C.R.; Grossi-De-Sa, M.F.: Characterization of JBURE-IIb Isoform of Canavalia ensiformis (L.) DC Urease. Biochim. Biophys. Acta, 2011, 1758-1768. http://dx.doi.org/10.1016/j.bbapap.2011.07.022

 

Pol-Fachin, L.; Becker, C.F.; Guimaraes, J.A.; Verli, H.: Effects of glycosylation on heparin binding and antithrombin activation by heparin. Proteins, 2011, 79, 2735-2745. http://dx.doi.org/10.1002/prot.23102

 

Pol-Fachin, L.; Verli, H.: Assessment of glycoproteins dynamics from computer simulations. Mini Rev. Org. Chem., 2011, 8, 229-238. http://dx.doi.org/10.2174/157019311796197382

 

Sachett, L.G.; Verli, H.: Dynamics of Different Arachidonic Acid Orientations bound to Prostaglandin Endoperoxide Synthases. Eur. J. Med. Chem., 2011, 46, 5212-5217. http://dx.doi.org/10.1016/j.ejmech.2011.08.016

 

Sachett, L.G.; Verli, H.: O papel de carboidratos na funcao proteica: o caso das PGHS. Rev. Virtual de Quim., 2011, 3, 275-285.

 

Silva, V.A.; Cargnelutti, M.T.; Giesel, G.M.; Palmieri, L.C.; Monteiro, R. Q.; Verli, H.; Lima, L.M.T.R.; Zheng, J.: Structure and Behavior of Human α-Thrombin upon Ligand Recognition: Thermodynamic and Molecular Dynamics Studies. Plos One, 2011, 6, e24735. http://dx.doi.org/10.1371/journal.pone.0024735

 

Velasquez, S.M.; Ricardi, M.M.; Dorosz, J.G.; Fernandez, P.V.; Nadra, A.D.; Pol-Fachin, L.; Egelund, J.; Gille, S.; Harholt, J.; Ciancia, M.; Verli, H.; Pauly, M.; Bacic, A.; Olsen, C.E.; Ulvskov, P.; Petersen, B.L.; Somerville, C.; Iusem, N.D.; Estevez, J. M.: O-Glycosylated Cell Wall Proteins Are Essential in Root Hair Growth. Science, 2011, 332, 1401-1403. http://dx.doi.org/10.1126/science.1206657

Graebin, C.S.; Verli, H.; Guimaraes, J.A.: Glycyrrhizin and glycyrrhetic acid: scaffolds to promising new pharmacologically active compounds. J. Braz. Chem. Soc., 2010, 21, 1595-1615. http://dx.doi.org/10.1590/S0103-50532010000900002

 

Fernandes, C.L.; Sachett, L.G.; Pol-Fachin, L.; Verli, H.: GROMOS96 43a1 performance in predicting oligosaccharide conformational ensembles within glycoproteins. Carbohydr. Res., 2010, 345, 663-671. http://dx.doi.org/10.1016/j.carres.2009.12.018

 

Pol-Fachin, L.; Fraga, C.A.M.; Barreiro, E.J.; Verli, H.: Characterization of the conformational ensemble from bioactive N-acylhydrazone derivatives. J. Mol. Graph. Mod., 2010, 28, 446-454. http://dx.doi.org/10.1016/j.jmgm.2009.10.004

 

Pol-Fachin, L.; Serrato, R.V.; Verli, H.: Solution conformation and dynamics of exopolysaccharides from Burkholderia species. Carbohydr. Res., 2010, 345, 1922-1931. http://dx.doi.org/10.1016/j.carres.2010.06.010

 

Santos, C.R.; Meza, A.N.; Hoffmam, Z.B.; Silva, J.C.; Alvarez, T.M.; Ruller, R.; Giesel, G.M.; Verli, H.; Squina, F.M.; Prade, R.A.: Thermal-induced conformational changes in the product release area drive the enzymatic activity of xylanases 10B: Crystal structure, conformational stability and functional characterization of the xylanase 10B from Thermotoga petrophila RKU-1. Biochem. Biophys. Res. Comm., 2010, 403, 214-219. http://dx.doi.org/10.1016/j.bbrc.2010.11.010

Castro, M.O.; Pomin, V.H.; Santos, L.L.; Vilela-Silva, A.-C.E.S.; Hirohashi, N.; Pol-Fachin, L.; Verli, H.; Mourao, P.A.S.: A Unique 2-Sulfated β-Galactan from the Egg Jelly of the Sea Urchin Glyptocidaris crenularis: conformation flexibility versus induction of the sperm acrosome reaction. J. Biol. Chem., 2009, 284, 18790-18800. http://dx.doi.org/10.1074/jbc.M109.005702

 

Lima, L.M.T.R.; Becker, C.F.; Giesel, G.M.; Marques, A.F.; Cargnelutti, M.T.; Neto, M.O.; Monteiro, R.Q.; Verli, H.; Polikarpov, I.: Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases. Biochim. Biophys. Acta, 2009, 1794, 873-881. http://dx.doi.org/10.1016/j.bbapap.2009.03.011

 

Pol-Fachin, L.; Fernandes, C.L.; Verli, H.: GROMOS96 43a1 performance on the characterization of glycoprotein conformational ensembles through molecular dynamics simulations. Carbohydr. Res., 2009, 344, 491-500. http://dx.doi.org/10.1016/j.carres.2008.12.025

 

Riboldi, G.P.; Verli, H.; Frazzon, J.: Structural studies of the Enterococcus faecalis SufU [Fe-S] cluster protein. BMC Biochemistry, 2009, 10, 1-10. http://dx.doi.org/10.1186/1471-2091-10-3

Altei, W.F.; Picchi, D.G.; Barbosa, S.C.; Cilli, E.M.; Giannini, M.J.; Cardoso-Lopes, E.M.; Young, M.C.M.; Torres, L.B.; Giesel, G.M.; Verli, H.; Bolzani, V.S.: NMR studies, solid phase synthesis and MD/SA simulation as a tool for structural elucidation of new bioactive peptides from the latex of Jatropha curcas I. Planta Medica (Stuttgart), 2008, 74, 922-922. http://dx.doi.org/10.1055/s-0028-1083945

 

Conrado, D.J.; Neves, G.; Verli, H.; Fraga, C.A.M.; Barreiro, E.J.; Costa, T.D.: Pharmacokinetic evaluation of LASSBio-579: an N-phenylpiperazine antipsychotic prototype. J. Pharm. Pharmacol., 2008, 60, 699-707. http://dx.doi.org/10.1211/jpp.60.6.0004

 

Giesel, G.; Lima, L.; Faberbarata, J.; Guimaraes, J.; Verli, H.: Characterization of the papillomavirus α1E2 peptide unfolded to folded transition upon DNA binding. FEBS Letters, 2008, 582, 3619-3624. http://dx.doi.org/10.1016/j.febslet.2008.09.041

 

Gnoatto, S.C.B.; Susplugas, S.; Vechia, L.D.; Ferreira, T.B.; Dassonville-Klimpt, A.; Zimmer, K.R.; Demailly, C.; Nascimento, S.D.; Guillon, J.; Grellier, P.; Verli, H.; Gosmann, G.; Sonnet, P.: Pharmacomodulation on the 3-acetylursolic acid skeleton: design, synthetis, and biological evaluation of novel N-{3-[4-(3-aminopropyl)piperazinyl]propyl}-3-O-acetylursolamide derivatives as antimalarial agents. Bioorg. Med. Chem., 2008, 16, 771-782. http://dx.doi.org/10.1016/j.bmc.2007.10.031

 

Kerber, V.A.; Passos, C.S.; Verli, H.; Fett-Neto, A.G.; Quirion, J.P.; Henriques, A.T.: Psychollatine, a glucosidic monoterpene indole alkaloid from Psychotria umbellata. J. Nat. Prod., 2008, 71, 697-700. http://dx.doi.org/10.1021/np0703951

 

Pol-Fachin, L.; Verli, H.: Depiction of the forces participating in the 2-O-sulfo-α-L-Iduronic acid conformational preference in heparin sequences within aqueous solutions. Carbohydr. Res., 2008, 343, 1435-1445. http://dx.doi.org/10.1016/j.carres.2008.04.016

Becker, C.F.; Guimaraes, J.A.; Mourao, P.A.S.; Verli, H.: Conformation of sulfated galactan and sulfated fucan in aqueous solutions: implications to their anticoagulant activities. J. Mol. Graph. Mod., 2007, 26, 391-399. http://dx.doi.org/10.1016/j.jmgm.2007.01.008

 

Flausino, O.; Santos, L.A.; Verli, H.; Pereira, A.M.; Bolzani, V.S.; Nunes-de-Souza, R.L.: Anxiolytic Effects of Erythrinian Alkaloids from Erythrina mulungu. Journal of Natural Products, 2007, 70, 48-53. http://dx.doi.org/10.1021/np060254j

 

Terra, R.M.S.; Guimaraes, J.A.; Verli, H.: Structural and functional behavior of biologically active monomeric melittin. J. Mol. Graph. Mod., 2007, 25, 767-772. http://dx.doi.org/10.1016/j.jmgm.2006.06.006

 

Verli, H.; Calazans, A.; Brindeiro, R.; Tanuri, A.; Guimaraes, J.A.: Molecular dynamics analysis of HIV-1 matrix protein: clarifying differences between crystallographic and solution structures. J. Mol. Graph. Mod., 2007, 26, 62-68. http://dx.doi.org/10.1016/j.jmgm.2006.09.009

Verli, H.; Guimaraes, J.A.: Insights into Carbohydrate Structure and Biological Function. Kerala: Research Signpost, 2006.

 

Verli, H.; Guimaraes, J.A.: Molecular Modeling in the Assessment of Glycosaminoglycans Structure and Function. In: Hugo Verli; Jorge Almeida Guimarães. Insights into Carbohydrate Stucture and Biological Function. Kerala: Research Signpost, 2006, 145-159.

Becker, C.F.; Guimaraes, J.A.; Verli, H.: Molecular dynamics and atomic charges calculations in the study of heparin conformation in aqueous solution. Carbohydr. Res., 2005, 340, 1499-1507. http://dx.doi.org/10.1016/j.carres.2005.03.018

 

Calazans, A.; Brindeiro, R.; Brindeiro, P.; Verli, H.; Aarruda, M.B.; Gonzalez, L.M.F.; Guimaraes, J.A.; Diaz, R.S.; Antunes, O.A.; Tanuri, A.: Low accumulation of L90M in the Human Immunodeficiency. J. Infect. Dis., 2005, 191, 1961-1970. http://dx.doi.org/10.1086/430002

 

Verli, H.; Barreiro, E.J.: Um paradigma da química medicinal: a flexibilidade dos ligantes e receptores. Quim. Nova, 2005, 28, 95-102. http://dx.doi.org/10.1590/S0100-40422005000100018

 

Verli, H.; Guimaraes, J.A.: Insights into the induced fit mechanism in Antithrombin-heparin interaction using molecular dynamics simulations. J. Mol. Graph. Mod., 2005, 24, 203-212. http://dx.doi.org/10.1016/j.jmgm.2005.07.002

 

Duarte, C.M.; Verli, H.; Araújo-Júnior, J. X.; Medeiros, I.A.; Barreiro, E.J.; Fraga, C.A.M.: New optimized piperamide analogues with potent in vivo hypotensive properties. Eur. J. Pharm. Sci., 2004, 23, 363-369. http://dx.doi.org/10.1016/j.ejps.2004.08.011

 

Verli, H.; Guimaraes, J.A.: Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution. Carbohydr. Res., 2004, 339, 281-290. http://dx.doi.org/10.1016/j.carres.2003.09.026