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Volumn 7, Issue 5, 1997, Pages 597-604

Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution

Author keywords

Conformation; Hyaluronan; Hydrogen bonds; Molecular dynamics; Water

Indexed keywords

HYALURONIC ACID;

EID: 0030876944     PISSN: 09596658     EISSN: None     Source Type: Journal    
DOI: 10.1093/glycob/7.5.597     Document Type: Article
Times cited : (55)

References (41)
  • 1
    • 0015378167 scopus 로고
    • The conformation of the mucopolysaccharides: Hyaluronates
    • Atkins, E.D.T., Phelps, C.F. and Sheehan, J.K. (1972) The conformation of the mucopolysaccharides: hyaluronates. Biochem. J., 128, 1255-1263.
    • (1972) Biochem. J. , vol.128 , pp. 1255-1263
    • Atkins, E.D.T.1    Phelps, C.F.2    Sheehan, J.K.3
  • 2
    • 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
  • 3
    • 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
    • 84990442963 scopus 로고
    • Viscometry and sedimentation equilibrium of partially hydrolyzed hyaluronate: Comparison with theoretical models of worm-like chains
    • Cleland, R.L. (1984) Viscometry and sedimentation equilibrium of partially hydrolyzed hyaluronate: comparison with theoretical models of worm-like chains. Biopolymers, 23, 647-666.
    • (1984) Biopolymers , vol.23 , pp. 647-666
    • Cleland, R.L.1
  • 7
    • 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
  • 8
    • 0030574983 scopus 로고    scopus 로고
    • 1C NMR studies of hyaluronan: Conformational sensitivity to varied environments
    • 1C 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
  • 9
    • 0026929209 scopus 로고
    • Influence of the ionic strength on the dimensions of sodium hyaluronate
    • Fouissac, E., Milas, M., Rinaudo, M. and Borsali, R. (1992) Influence of the ionic strength on the dimensions of sodium hyaluronate. Macromolecules, 25, 5613-5617.
    • (1992) Macromolecules , vol.25 , pp. 5613-5617
    • Fouissac, E.1    Milas, M.2    Rinaudo, M.3    Borsali, R.4
  • 10
    • 0024288712 scopus 로고
    • A revised potential energy for molecular mechanics studies of carbohydrates
    • Ha, S.N., Giammona, A., Field, M. and Brady, J.W. (1988) A revised potential energy for molecular mechanics studies of carbohydrates. Carbohydr. Res., 180, 207-221.
    • (1988) Carbohydr. Res. , vol.180 , pp. 207-221
    • Ha, S.N.1    Giammona, A.2    Field, M.3    Brady, J.W.4
  • 11
    • 0026507880 scopus 로고
    • Proteoglycans: Many forms and many functions
    • Hardingham, T.E. and Fosang, A.J. (1992) Proteoglycans: many forms and many functions. FASEB J., 6, 861-870.
    • (1992) FASEB J. , vol.6 , pp. 861-870
    • Hardingham, T.E.1    Fosang, A.J.2
  • 12
    • 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
  • 13
    • 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
  • 14
    • 0020005716 scopus 로고
    • Secondary structure in glycosaminoglycuronans: NMR spectra in dimethyl sulphoxide of disaccharides related to hyaluronic acid and chondroitin sulphate
    • Heatley, F., Scott, J.E., Jeanloz, R.W. and Walker-Nasir, E. (1982) Secondary structure in glycosaminoglycuronans: NMR spectra in dimethyl sulphoxide of disaccharides related to hyaluronic acid and chondroitin sulphate. 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
  • 15
    • 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
  • 16
    • 0028114358 scopus 로고
    • The solution conformation of hyaluronan: A combined NMR and molecular dynamics study
    • Holmbeck, S.M.A., Petillo, P.A. and Lerner, L.E. (1994) The solution conformation of hyaluronan: a combined NMR and molecular dynamics study. Biochemistry, 33, 14246-14255.
    • (1994) Biochemistry , vol.33 , pp. 14246-14255
    • Holmbeck, S.M.A.1    Petillo, P.A.2    Lerner, L.E.3
  • 17
    • 0025050372 scopus 로고
    • A molecular force field for the conformational analysis of oligosaccharides: Comparison of theoretical and crystal structures of Manα1-3Manα1-4GlcNAc
    • Homans, S.W. (1990) A molecular force field for the conformational analysis of oligosaccharides: comparison of theoretical and crystal structures of Manα1-3Manα1-4GlcNAc. Biochemistry, 29, 9110-9118.
    • (1990) Biochemistry , vol.29 , pp. 9110-9118
    • Homans, S.W.1
  • 18
    • 33947092608 scopus 로고
    • Application of ab initio molecular orbital calculations to the structural moieties of carbohydrates
    • Jeffrey, G.A., Pople, J.A., Binkley, J.S. and Vishveshwara, S. (1978) Application of ab initio molecular orbital calculations to the structural moieties of carbohydrates. J. Am. Chem. Soc., 100, 373-379.
    • (1978) J. Am. Chem. Soc. , vol.100 , pp. 373-379
    • Jeffrey, G.A.1    Pople, J.A.2    Binkley, J.S.3    Vishveshwara, S.4
  • 23
    • 0028038824 scopus 로고
    • Refined structure of concanavalin a complexed with methyl α-D-mannopyranoside at 2.0 Å resolution and comparison with the saccharide-free structure
    • Naismith, J.H., Emmerich, C., Habash, J., Harrop, S.J., Helliwell, J.R., Hunter, W.N., Raftery, J., Kalb, A.J. and Yariv, J. (1994) Refined structure of concanavalin a complexed with methyl α-D-mannopyranoside at 2.0 Å resolution and comparison with the saccharide-free structure. Acta Crystallogr., D50, 847-858.
    • (1994) Acta Crystallogr. , vol.D50 , pp. 847-858
    • Naismith, J.H.1    Emmerich, C.2    Habash, J.3    Harrop, S.J.4    Helliwell, J.R.5    Hunter, W.N.6    Raftery, J.7    Kalb, A.J.8    Yariv, J.9
  • 24
    • 0028421133 scopus 로고
    • NMR spectroscopy of hydroxyl protons in supercooled carbohydrates
    • Poppe, L. and Van Halbeek, H. (1994) NMR spectroscopy of hydroxyl protons in supercooled carbohydrates. Nature Struct. Biol., 1, 215-216.
    • (1994) Nature Struct. Biol. , vol.1 , pp. 215-216
    • Poppe, L.1    Van Halbeek, H.2
  • 25
    • 0021245988 scopus 로고
    • Hyaluronate is synthesised at plasma membranes
    • Prehm, P. (1984) Hyaluronate is synthesised at plasma membranes. Biochem. J., 220, 597-600.
    • (1984) Biochem. J. , vol.220 , pp. 597-600
    • Prehm, P.1
  • 26
    • 0024402955 scopus 로고
    • Secondary structures in hyaluronan solutions: Chemical and biological implications
    • Laurent, T.C. (ed.), The Biology of Hyaluronan. John Wiley, Chichester, U.K.
    • Scott, J.E. (1989) Secondary structures in hyaluronan solutions: chemical and biological implications. In Laurent, T.C. (ed.), The Biology of Hyaluronan. Ciba Foundation Symposium 143. John Wiley, Chichester, U.K., pp. 6-20
    • (1989) Ciba Foundation Symposium 143 , pp. 6-20
    • Scott, J.E.1
  • 27
    • 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
  • 28
    • 0019750646 scopus 로고
    • Secondary structures of hyaluronate and chondroitin sulphates
    • Scott, J.E., Heatley, F., Moorcroft, D. and Olavesen, A.H. (1981) Secondary structures of hyaluronate and chondroitin sulphates. Biochem. J., 199, 829-832.
    • (1981) Biochem. J. , vol.199 , pp. 829-832
    • Scott, J.E.1    Heatley, F.2    Moorcroft, D.3    Olavesen, A.H.4
  • 29
    • 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
  • 30
    • 0026028982 scopus 로고
    • Secondary and tertiary structures of hyaluronan in aqueous solution, investigated by rotary shadowing-electron microscopy and computer simulation
    • Scott, J.E., Cummings, C., Brass, A. and Chen, Y. (1991) Secondary and tertiary structures of hyaluronan in aqueous solution, investigated by rotary shadowing-electron microscopy and computer simulation. Biochem. J., 274, 699-705.
    • (1991) Biochem. J. , vol.274 , pp. 699-705
    • Scott, J.E.1    Cummings, C.2    Brass, A.3    Chen, Y.4
  • 31
    • 0001753203 scopus 로고
    • X-Ray fiber diffraction study of the conformational changes in hyaluronate induced in the presence of sodium, potassium and calcium cations
    • Sheehan, J. K., and Atkins, E.D.T. (1983) X-Ray fiber diffraction study of the conformational changes in hyaluronate induced in the presence of sodium, potassium and calcium cations. Int J. Biol. Macromol., 5, 215-221.
    • (1983) Int J. Biol. Macromol. , vol.5 , pp. 215-221
    • Sheehan, J.K.1    Atkins, E.D.T.2
  • 32
    • 0017665201 scopus 로고
    • Hyaluronic acid: A double-helical structure in the presence of potassium at low pH and found also with the cations ammonium, rubidium and caesium
    • Sheehan, J.K., Gardner, K.H. and Atkins, E.D.T. (1977) Hyaluronic acid: a double-helical structure in the presence of potassium at low pH and found also with the cations ammonium, rubidium and caesium. J. Mol. Biol., 117, 113-135.
    • (1977) J. Mol. Biol. , vol.117 , pp. 113-135
    • Sheehan, J.K.1    Gardner, K.H.2    Atkins, E.D.T.3
  • 33
    • 0029665888 scopus 로고    scopus 로고
    • 13C NMR study of a repeating disaccharide of hyaluronan: The effect of sodium and calcium ions
    • 13C NMR study of a repeating disaccharide of hyaluronan: the effect of sodium and calcium ions. Carbohydr. Res., 286, 151-159.
    • (1996) Carbohydr. Res. , vol.286 , pp. 151-159
    • Sicinska, W.1    Lerner, L.E.2
  • 34
    • 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
  • 35
    • 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. Comp. Chem., 15, 667-683.
    • (1994) J. Comp. Chem. , vol.15 , pp. 667-683
    • Steinbach, P.J.1    Brooks, B.R.2
  • 36
    • 0003004715 scopus 로고
    • Justification for the exo-anomeric effect, conformational analysis based on nuclear magnetic resonance spectroscopy of oligosaccharides
    • Thogersen, H., Lemieux, R.U., Bock, K. and Meyer, B. (1982) Justification for the exo-anomeric effect, conformational analysis based on nuclear magnetic resonance spectroscopy of oligosaccharides. Can. J. Chem., 60, 44.
    • (1982) Can. J. Chem. , vol.60 , pp. 44
    • Thogersen, H.1    Lemieux, R.U.2    Bock, K.3    Meyer, B.4
  • 37
    • 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
  • 38
    • 0030130810 scopus 로고    scopus 로고
    • The effect of hydration upon the conformation and dynamics of neocarrabiose, a repeat unit of α-carrageenan
    • Ueda, K. and Brady, J.W. (1996) The effect of hydration upon the conformation and dynamics of neocarrabiose, a repeat unit of α-carrageenan. Biopolymers, 38, 461-469.
    • (1996) Biopolymers , vol.38 , pp. 461-469
    • Ueda, K.1    Brady, J.W.2
  • 39
    • 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
  • 40
    • 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
  • 41
    • 0016750356 scopus 로고
    • Hyaluronic acid: Structure of a fully extended 3-fold helical sodium salt and comparison with the less extended 4-fold helical forms
    • Winter, W.T. and Smith, P.J.C. (1975) Hyaluronic acid: structure of a fully extended 3-fold helical sodium salt and comparison with the less extended 4-fold helical forms. J. Mol. Biol., 99, 219-235.
    • (1975) J. Mol. Biol. , vol.99 , pp. 219-235
    • Winter, W.T.1    Smith, P.J.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.