Glicoproteínas na Literatura

Estudos de simulação por dinâmica molecular de glicoproteínas, glicopeptídeos e ligações entre aminoácidos e monossacarídeos.


Stortz, C.A.: Contributions of South American research centers to Carbohydrate Research. Carbohydr. Res., 2014, 390C, 71-75.


Wang, X.; Kumar, S.; Buck, P.M.; Singh, S.K.: Impact of deglycosylation and thermal stress on conformational stability of a full length murine IgG2A monoclonal antibody: Observations from molecular dynamics simulations. Proteins2013, 81, 443-460.


Koyama, M.; Nishimasu, H.; Ishitani, R.; Nureki, O.: Molecular dynamics simulation of autotaxin: roles of the nuclease-like domain and the glycan modification. J. Phys. Chem. B, 2012, 116, 11798-11808.


Naziga, E.B.; Schweizer, F.; Wetmore, S.D.: Conformational study of the hydroxyproline-O-glycosidic linkage: sugar-peptide orientation and prolyl amide isomerization in (α/β)-galactosylated 4(R/S)-hydroxyproline. J. Phys. Chem. B, 2012, 116, 860-871.


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. Glycobiology201222, 817-825.


Wang, X.Y.; Ji, C.G.; Zhang, J.Z.H.: Exploring the molecular mechanism of stabilization of the adhesion domains of human CD2 by N-glycosylation. J. Phys. Chem. B, 2012, 116, 11570-11577.


Corzana, F.; Busto, J.H.; Marcelo, F.; García de Luis, M.; Asensio, J.L.; Martín-Santamaría, S.; Jiménez-Barbero, J.; Avenoza, A.; Peregrina, J.M.: Engineering O-glycosylation points in non-extended peptides: implications for the molecular recognition of short tumor-associated glycopeptides. Chemistry, 2011, 17, 3105-3110.


Pol-Fachin, L.; Becker, C.F.; Guimarães, J.A.; Verli, H.: Effects of glycosylation on heparin binding and antithrombin activation by heparin. Proteins2011, 79, 2735-2745.


Dimitropoulos, N.; Papakyriakou, A.; Dalkas, G.A.; Chasapis, C.T.; Poulas, K.; Spyroulias, G.A.: A computational investigation on the role of glycosylation in the binding of alpha1 nicotinic acetylcholine receptor with two alpha-neurotoxins. Proteins2011, 79, 142-152.


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.


West, M.B.; Wickham, S.; Quinalty, L.M.; Pavlovicz, R.E.; Li, C.; Hanigan, M.H.: Autocatalytic cleavage of human gamma-glutamyl transpeptidase is highly dependent on N-glycosylation at asparagine 95. J. Biol. Chem.2011, 286, 28876-28888.


Corzana, F.; Busto, J.H.; García de Luis, M.; Fernández-Tejada, A.; Rodríguez, F.; Jiménez-Barbero, J.; Avenoza, A.; Peregrina, J.M.: Dynamics and Hydration Properties of Small Antifreeze-Like Glycopeptides Containing Non-Natural Amino Acids. Eur. J. Org. Chem., 2010, 18, 3525–3532.


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.


Pan, D.; Song, Y.: Role of altered sialylation of the I-like domain of beta1 integrin in the binding of fibronectin to beta1 integrin: thermodynamics and conformational analyses. Biophys. J.2010, 99, 208-217.


Fernández-Tejada, A.; Corzana, F.; Busto, J.H.; Avenoza, A.; Peregrina, J.M.: Conformational effects of the non-natural alpha-methylserine on small peptides and glycopeptides. J. Org. Chem., 2009, 74, 9305-9313.


Fernández-Tejada, A.; Corzana, F.; Busto, J.H.; Avenoza, A.; Peregrina, J.M.: Stabilizing unusual conformations in small peptides and glucopeptides using a hydroxylated cyclobutane amino acid. Org. Biomol. Chem., 2009, 7, 2885-2893.


Fernández-Tejada, A.; Corzana, F.; Busto, J. H.; Jiménez-Osés, G.; Jiménez-Barbero, J.; Avenoza, A.; Peregrina, J.M.: Insights into the geometrical features underlying beta-O-GlcNAc glycosylation: water pockets drastically modulate the interactions between the carbohydrate and the peptide backbone. Chemistry, 2009, 27, 7297-7301.


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.


Tam, R.Y.; Rowley, C.N.; Petrov, I.; Zhang, T.; Afagh, N.A.; Woo, T.K; Ben, R.N.: Solution conformation of C-linked antifreeze glycoprotein analogues and modulation of ice recrystallization. J. Am. Chem. Soc., 2009, 131, 15745-15753.


Bosques, C.J.; Tschampel, S.M.; Woods, R.J.; Imperiali, B.: Effects of glycosylation on peptide conformation: a synergistic experimental and computational study. J. Am. Chem. Soc., 2004, 126, 8421-8425.


Rubinstein, A.; Kinarsky, L.; Sherman, S.: Molecular dynamics simulations of the O-glycosylated 21-residue MUC1 peptides. Int. J. Mol. Sci., 2004, 5, 119-128.


Nguyen, D.H.; Colvin, M.E.; Yeh, Y.; Feeney, R.E.; Fink, W.H.: The dynamics, structure, and conformational free energy of proline-containing antifreeze glycoprotein. Biophys. J., 2002, 82, 2892-2905.


Perera, L.; Darden, T.A.; Pedersen, L.G.: Predicted solution structure of zymogen human coagulation FVII. J. Comput. Chem., 2002, 23, 35–47.


Mandal, T.L.; Mukhopadhyay, C.: Effect of glycosylation on structure and dynamics of MHC class I glycoprotein: a molecular dynamics study. Biopolymers200159, 11-23.


Wong, N.K.; Renouf, D.V.; Lehmann, S.; Hounsell, E.F.: Glycosylation of prions and its effects on protein conformation relevant to amino acid mutations. J. Mol. Graph. Model., 2000, 18, 126-134.


Zuegg, J.; Gready, J.E.: Molecular dynamics simulation of human prion protein including both N-linked oligosaccharides and the GPI anchor. Glycobiology, 2000, 10, 959-974.


Mukhopadhyay, C.: Molecular dynamics simulation of glycoprotein-glycans of immunoglobulin G and immunoglobulin M. Biopolymers, 1998, 45, 177-190.


Huang, X.; Barchi, J.J.Jr; Lung, F.D.; Roller, P.P.; Nara, P.L.; Muschik, J.; Garrity, R.R.: Glycosylation affects both the three-dimensional structure and antibody binding properties of the HIV-1IIIB GP120 peptide RP135. Biochemistry, 1997, 36, 10846-10856.


Naidoo, K.J.; Denysyk, D.; Brady, J. W.: Molecular dynamics simulations of the N-linked oligosaccharide of the lectin from Erythrina corallodendron. Protein Eng., 1997, 10, 1249-1261.