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Volumn 8, Issue 10, 1998, Pages 973-980

Dynamic exchange between stabilized conformations predicted for hyaluronan tetrasaccharides: Comparison of molecular dynamics simulations with available NMR data

Author keywords

Hyaluronan; Hydrogen bonds; Molecular dynamics; Water

Indexed keywords

HYALURONIC ACID; OLIGOSACCHARIDE; WATER;

EID: 0031696129     PISSN: 09596658     EISSN: None     Source Type: Journal    
DOI: 10.1093/glycob/8.10.973     Document Type: Article
Times cited : (61)

References (37)
  • 1
    • 0030876944 scopus 로고    scopus 로고
    • Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution
    • Almond, A., Sheehan, J.K. and Brass, A. (1997) Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution. Glycobiology, 7, 597-694.
    • (1997) Glycobiology , vol.7 , pp. 597-694
    • Almond, A.1    Sheehan, J.K.2    Brass, A.3
  • 2
    • 0025282411 scopus 로고
    • CD44 is the principal cell surface receptor for hyaluronate
    • Aruffo, A., Stamenkovic, I., Melnick, M., Underhill, C.B. and Seed, B. (1990) CD44 is the principal cell surface receptor for hyaluronate. Cell, 61, 1303-1313.
    • (1990) Cell , vol.61 , pp. 1303-1313
    • Aruffo, A.1    Stamenkovic, I.2    Melnick, M.3    Underhill, C.B.4    Seed, B.5
  • 3
    • 0000939729 scopus 로고
    • Model of hyaluronic acid incorporating four intramolecular hydrogen bonds
    • Atkins, E.D.T., Meader, D. and Scott, J.E. (1980) Model of hyaluronic acid incorporating four intramolecular hydrogen bonds. Int. J. Biol. Macromol., 2, 318-319.
    • (1980) Int. J. Biol. Macromol. , vol.2 , pp. 318-319
    • Atkins, E.D.T.1    Meader, D.2    Scott, J.E.3
  • 4
    • 0000046092 scopus 로고
    • The role of hydrogen-bonding in carbohydrates: Molecular dynamics simulations of maltose in aqueous solution
    • Brady, J.W. and Schmidt, R.K. (1993) The role of hydrogen-bonding in carbohydrates: molecular dynamics simulations of maltose in aqueous solution. J. Phys. Chem., 97, 958-966.
    • (1993) J. Phys. Chem. , vol.97 , pp. 958-966
    • Brady, J.W.1    Schmidt, R.K.2
  • 6
    • 0000473534 scopus 로고
    • Refinement of the angular dependence of the peptide vicinal NH-C(alpha)H coupling constant
    • Bystrov, V.F., Ivanov, V.T., Portnova, S.L., Balashova, T.A., and Ovchinnikov, Y.A. (1973) Refinement of the angular dependence of the peptide vicinal NH-C(alpha)H coupling constant. Tetrahedron, 29, 873-877.
    • (1973) Tetrahedron , vol.29 , pp. 873-877
    • Bystrov, V.F.1    Ivanov, V.T.2    Portnova, S.L.3    Balashova, T.A.4    Ovchinnikov, Y.A.5
  • 7
    • 84990442963 scopus 로고
    • Viscometry and sedimentation equilibrium of partially hydrolyzed hyaluronate: Comparison with theoretical models of wormlike chains
    • Cleland, R.L. (1984) Viscometry and sedimentation equilibrium of partially hydrolyzed hyaluronate: comparison with theoretical models of wormlike chains. Biopolymers, 23, 647-666.
    • (1984) Biopolymers , vol.23 , pp. 647-666
    • Cleland, R.L.1
  • 8
    • 0019871867 scopus 로고
    • Preparation and circular dichroism analysis of sodium hyaluronte oligosaccharides and chondroitin
    • Cowman, M. K., Balazs, E.A., Bergmann, C.W. and Meyer, K. (1981) Preparation and circular dichroism analysis of sodium hyaluronte oligosaccharides and chondroitin. Biochemistry, 20, 1379-1385.
    • (1981) Biochemistry , vol.20 , pp. 1379-1385
    • Cowman, M.K.1    Balazs, E.A.2    Bergmann, C.W.3    Meyer, K.4
  • 9
    • 0021417611 scopus 로고
    • 1H NMR of glycosaminoglycans and hyaluronic acid oligosaccharides in aqueous solution: The amide proton environment
    • 1H NMR of glycosaminoglycans and hyaluronic acid oligosaccharides in aqueous solution: the amide proton environment. Arch. Biochem. Biophys., 230, 203-212.
    • (1984) Arch. Biochem. Biophys. , vol.230 , pp. 203-212
    • Cowman, M.K.1    Cozart, D.2    Nakanishi, K.3    Balazs, E.A.4
  • 10
    • 0030574983 scopus 로고    scopus 로고
    • 13C-NMR studies of hyaluronan: Conformational sensitivity to varied environments
    • 13C-NMR studies of hyaluronan: conformational sensitivity to varied environments. Macromolecules, 29, 2894-2902.
    • (1996) Macromolecules , vol.29 , pp. 2894-2902
    • Cowman, M.K.1    Hittner, D.M.2    Feder-Davis, J.3
  • 11
    • 1842692143 scopus 로고
    • A general definition of ring puckering coordinates
    • Cremer, D., and Pople, J.A. (1975) A general definition of ring puckering coordinates. J. Am. Chem. Soc., 97, 1354-1358.
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 1354-1358
    • Cremer, D.1    Pople, J.A.2
  • 12
    • 0003847932 scopus 로고
    • Cambridge University Press, Cambridge
    • Franks, F. (1990) Water Science Reviews. Volume 5. Cambridge University Press, Cambridge.
    • (1990) Water Science Reviews , vol.5
    • Franks, F.1
  • 13
    • 0000184586 scopus 로고
    • Molecular dynamics simulation of cellobiose in water
    • Hardy, B.J. and Sarko, A. (1993) Molecular dynamics simulation of cellobiose in water. J. Comp. Chem., 14, 848-857.
    • (1993) J. Comp. Chem. , vol.14 , pp. 848-857
    • Hardy, B.J.1    Sarko, A.2
  • 14
    • 0023769812 scopus 로고
    • A water molecule participates in the secondary structure of hyaluronan
    • Heatley, F., and Scott, J.E. (1988) A water molecule participates in the secondary structure of hyaluronan. Biochem. J., 254, 489-493.
    • (1988) Biochem. J. , vol.254 , pp. 489-493
    • Heatley, F.1    Scott, J.E.2
  • 15
    • 0020005716 scopus 로고
    • Secondary structure in glycosaminoglycuronans: NMR spectra in dimethyl sulfoxide of disaccharides related to hyaluronic acid and chondroitin sulfate
    • Heatley, F., Scott, J.E., Jeanloz, R.W. and Walker-Nasir, E. (1982) Secondary structure in glycosaminoglycuronans: NMR spectra in dimethyl sulfoxide of disaccharides related to hyaluronic acid and chondroitin sulfate. Carbohydr. Res., 99, 1-11.
    • (1982) Carbohydr. Res. , vol.99 , pp. 1-11
    • Heatley, F.1    Scott, J.E.2    Jeanloz, R.W.3    Walker-Nasir, E.4
  • 16
    • 0000432120 scopus 로고
    • The potential calculation and some applications
    • Hockney, R.W. (1970) The potential calculation and some applications. Methods Comp. Phys., 9, 135-211.
    • (1970) Methods Comp. Phys. , vol.9 , pp. 135-211
    • Hockney, R.W.1
  • 18
    • 0026941297 scopus 로고
    • Hydration of oligosaccharides - Anomalous hydration ability of trehalose
    • Kawai, H., Sakurai, M., Inoue, Y., Chujo, R. and Kobayashi, S. (1992) Hydration of oligosaccharides - anomalous hydration ability of trehalose. Cryobiology, 5, 599-606.
    • (1992) Cryobiology , vol.5 , pp. 599-606
    • Kawai, H.1    Sakurai, M.2    Inoue, Y.3    Chujo, R.4    Kobayashi, S.5
  • 19
    • 0026611902 scopus 로고
    • 13C NMR studies of solutions of hyaluronic acid esters and salts in methyl sulfoxide: Comparison of hydrogen bond patterns and conformational behaviour
    • 13C NMR studies of solutions of hyaluronic acid esters and salts in methyl sulfoxide: comparison of hydrogen bond patterns and conformational behaviour. Carbohydr. Res., 230, 1-13.
    • (1992) Carbohydr. Res. , vol.230 , pp. 1-13
    • Kvam, B.J.1    Atzori, M.2    Toffanin, R.3    Paoletti, S.4    Biviano, F.5
  • 20
    • 0027051755 scopus 로고
    • NMR studies of a tetrasaccrharide from hyaluronic acid
    • Livant, P., Roden, L. and Krishna, N.R. (1992) NMR studies of a tetrasaccrharide from hyaluronic acid. Carbohydr. Res., 237, 271-281.
    • (1992) Carbohydr. Res. , vol.237 , pp. 271-281
    • Livant, P.1    Roden, L.2    Krishna, N.R.3
  • 21
    • 84985666143 scopus 로고
    • Conformations of the hydroxymethyl group in crystalline aldohexopyranoses
    • Marchessault, R.H. and Perez, S. (1979) Conformations of the hydroxymethyl group in crystalline aldohexopyranoses. Biopolymers, 18, 2369-2374.
    • (1979) Biopolymers , vol.18 , pp. 2369-2374
    • Marchessault, R.H.1    Perez, S.2
  • 22
    • 0028168180 scopus 로고
    • RHAMM, a receptor for hyaluronan-mediated motility, on normal human-lymphocytes, thymocytes and malignant B-cells - A mediator in B-cell malignancy
    • Pilarski, L.M., Masellissmith, A., Belch, A.R., Yang, B., Savani, R.C. and Turley, E.A. (1994) RHAMM, a receptor for hyaluronan-mediated motility, on normal human-lymphocytes, thymocytes and malignant B-cells - a mediator in B-cell malignancy. Leukemia Lymphoma, 14, 363-374.
    • (1994) Leukemia Lymphoma , vol.14 , pp. 363-374
    • Pilarski, L.M.1    Masellissmith, A.2    Belch, A.R.3    Yang, B.4    Savani, R.C.5    Turley, E.A.6
  • 23
    • 0002252673 scopus 로고
    • Secondary structures in hyaluronan solutions: Chemical and bological Implications
    • Laurent, T.C. (ed.), Ciba Foundation Symposium 143, Chichester, UK
    • Scott, J.E. (1989) Secondary structures in hyaluronan solutions: chemical and bological Implications. In Laurent, T.C. (ed.), The Biology of Hyaluronan. Ciba Foundation Symposium 143, Chichester, UK, pp. 6-20.
    • (1989) The Biology of Hyaluronan , pp. 6-20
    • Scott, J.E.1
  • 24
    • 0020198142 scopus 로고
    • 1H NMR signal of the acetamido NH group
    • 1H NMR signal of the acetamido NH group. Biochem. J., 207, 139-144.
    • (1982) Biochem. J. , vol.207 , pp. 139-144
    • Scott, J.E.1    Heatley, F.2
  • 25
    • 0016644983 scopus 로고
    • The influence of the intrapolymer environment on periodate oxidation of uronic acids in polyuronides and glycosaminoglycuronans
    • Scott, J.E. and Tigwell, M.J. (1975) The influence of the intrapolymer environment on periodate oxidation of uronic acids in polyuronides and glycosaminoglycuronans. Biochem. Soc. Trans., 3, 662-664.
    • (1975) Biochem. Soc. Trans. , vol.3 , pp. 662-664
    • Scott, J.E.1    Tigwell, M.J.2
  • 26
    • 0017884468 scopus 로고
    • Periodate oxidation and the shapes of glycosaminoglycuronans in solution
    • Scott, J.E. and Tigwell, M.J. (1978) Periodate oxidation and the shapes of glycosaminoglycuronans in solution. Biochem. J., 173, 103-114.
    • (1978) Biochem. J. , vol.173 , pp. 103-114
    • Scott, J.E.1    Tigwell, M.J.2
  • 27
    • 0021763399 scopus 로고
    • Secondary structure of hyaluronate in solution
    • Scott, J.E., Heatley, F. and Hull, W.E. (1984) Secondary structure of hyaluronate in solution. Biochem. J., 220, 197-205.
    • (1984) Biochem. J. , vol.220 , pp. 197-205
    • Scott, J.E.1    Heatley, F.2    Hull, W.E.3
  • 28
    • 0027911127 scopus 로고
    • 13C NMR study of a repeating disaccharide of hyaluronan: The effects of temperature and counterion type
    • 13C NMR study of a repeating disaccharide of hyaluronan: the effects of temperature and counterion type. Carbohydr. Res., 242, 29-51.
    • (1993) Carbohydr. Res. , vol.242 , pp. 29-51
    • Sicinska, W.1    Adams, B.2    Lerner, L.E.3
  • 29
    • 84986534166 scopus 로고
    • New spherical cut-off methods for long range forces in macromolecular simulation
    • Steinbach, P.J. and Brooks, B.R. (1994) New spherical cut-off methods for long range forces in macromolecular simulation. J. Camp. Chem., 15, 667-683.
    • (1994) J. Camp. Chem. , vol.15 , pp. 667-683
    • Steinbach, P.J.1    Brooks, B.R.2
  • 30
    • 84981408535 scopus 로고
    • Some aspects of stereochemistry and hydrogen bonding of carbohydrates related to polysaccharide conformations
    • Sundaralingam, M. (1968) Some aspects of stereochemistry and hydrogen bonding of carbohydrates related to polysaccharide conformations. Biopolymers, 6, 189-213.
    • (1968) Biopolymers , vol.6 , pp. 189-213
    • Sundaralingam, M.1
  • 31
    • 0012377852 scopus 로고
    • Computational methods for studying oligo- and polysaccharide conformations
    • Tvaroska, I. (1989) Computational methods for studying oligo- and polysaccharide conformations. Pure Applied Chem., 61, 1201-1216.
    • (1989) Pure Applied Chem. , vol.61 , pp. 1201-1216
    • Tvaroska, I.1
  • 32
    • 0024930829 scopus 로고
    • Anomeric and exo-anomeric effects in carbohydrate chemistry
    • Tvaroska, I. and Tomas, B. (1989) Anomeric and exo-anomeric effects in carbohydrate chemistry. Adv. Carbohydr. Chem. Biochem., 47, 45-123.
    • (1989) Adv. Carbohydr. Chem. Biochem. , vol.47 , pp. 45-123
    • Tvaroska, I.1    Tomas, B.2
  • 33
    • 0030130810 scopus 로고    scopus 로고
    • The effect of hydration upon the conformation and dynamics of neocarrabiose, a repeat unit of β-carrageenan
    • Ueda, K., and Brady, J.W. (1996) The effect of hydration upon the conformation and dynamics of neocarrabiose, a repeat unit of β-carrageenan. Biopolymers, 38, 461-469.
    • (1996) Biopolymers , vol.38 , pp. 461-469
    • Ueda, K.1    Brady, J.W.2
  • 34
    • 84946450438 scopus 로고
    • Algorithms for macromolecular dynamics and constraint dynamics
    • van Gunsteren, W.F., and Berendsen, H.J.C. (1977) Algorithms for macromolecular dynamics and constraint dynamics. Mol. Phys., 34, 1311-1327.
    • (1977) Mol. Phys. , vol.34 , pp. 1311-1327
    • Van Gunsteren, W.F.1    Berendsen, H.J.C.2
  • 35
    • 22944467757 scopus 로고
    • Computer experiments on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules
    • Verlet, L. (1967) Computer experiments on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev., 159, 98-103.
    • (1967) Phys. Rev. , vol.159 , pp. 98-103
    • Verlet, L.1
  • 36
    • 0018451673 scopus 로고
    • 1H-magnetic resonance spectra of chondroitin-4-sulfate, chondroitin-6-sulfate and hyaluronate, and investigation of an alkali-induced conformation change
    • 1H-magnetic resonance spectra of chondroitin-4-sulfate, chondroitin-6-sulfate and hyaluronate, and investigation of an alkali-induced conformation change. Eur. J. Biochem., 94, 505-514.
    • (1979) Eur. J. Biochem. , vol.94 , pp. 505-514
    • Welti, D.1    Rees, D.A.2    Welsh, E.J.3
  • 37
    • 0021834944 scopus 로고
    • Angiogenesis induced by degredation products of hyaluronic acid
    • West, D.C. Hampson, I.N., Arnold, F. and Kumar, S. (1985) Angiogenesis induced by degredation products of hyaluronic acid. Science, 228, 1324-1326.
    • (1985) Science , vol.228 , pp. 1324-1326
    • West, D.C.1    Hampson, I.N.2    Arnold, F.3    Kumar, S.4


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