메뉴 건너뛰기




Volumn 284, Issue 5, 1998, Pages 1425-1437

Deducing polymeric structure from aqueous molecular dynamics simulations of oligosaccharides: Predictions from simulations of hyaluronan tetrasaccharides compared with hydrodynamic and X-ray fibre diffraction data

Author keywords

Conformation; Hyaluronan; Hydrodynamics; Water; X ray fibre diffraction

Indexed keywords

DISACCHARIDE; HYALURONIC ACID; OLIGOSACCHARIDE;

EID: 0032545145     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.1998.2245     Document Type: Article
Times cited : (70)

References (49)
  • 1
    • 0030876944 scopus 로고    scopus 로고
    • Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution
    • Almond, A., Sheehan, J. K. & Brass, A. (1997). Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution. Glycobiology, 7, 597-604.
    • (1997) Glycobiology , vol.7 , pp. 597-604
    • Almond, A.1    Sheehan, J.K.2    Brass, A.3
  • 2
    • 0031696129 scopus 로고    scopus 로고
    • Dynamic exchange between stabilised conformations predicted for hyaluronan tetrasaccharides: Comparison of molecular dynamics simulations with available NMR data
    • Almond, A., Brass, A. & Sheehan, J. K. (1998). Dynamic exchange between stabilised conformations predicted for hyaluronan tetrasaccharides: comparison of molecular dynamics simulations with available NMR data. Glycobiology, 8, 973-980.
    • (1998) Glycobiology , vol.8 , pp. 973-980
    • Almond, A.1    Brass, A.2    Sheehan, J.K.3
  • 3
    • 0025282411 scopus 로고
    • CD44 is the principal cell surface receptor for hyaluronate
    • Aruffo, A., Stamenkovic, I., Melnick, M., Underhill, C. B. & 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
  • 4
    • 0015520428 scopus 로고
    • Structure for hyaluronic acid
    • Atkins, E. D. T. & Sheehan, J. K. (1972). Structure for hyaluronic acid. Nature New Biol. 235, 253-254.
    • (1972) Nature New Biol. , vol.235 , pp. 253-254
    • Atkins, E.D.T.1    Sheehan, J.K.2
  • 5
    • 0015918115 scopus 로고
    • Hyaluronates: Relation between molecular conformations
    • Atkins, E. D. T. & Sheehan, J. K. (1973). Hyaluronates: relation between molecular conformations. Science, 179, 562-564.
    • (1973) Science , vol.179 , pp. 562-564
    • Atkins, E.D.T.1    Sheehan, J.K.2
  • 6
    • 0015378167 scopus 로고
    • The conformation of the mucopolysaccharides. Hyaluronates
    • Atkins, E. D. T., Phelps, C. F. & 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
  • 7
    • 0000939729 scopus 로고
    • Model of hyaluronic acid incorporating four intramolecular hydrogen bonds
    • Atkins, E. D. T., Meader, D. & 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
  • 8
    • 84990462947 scopus 로고
    • On the limiting viscosity number of hyaluronate in potassium phosphate buffers between pH 6.5 and 8
    • Balazs, E. A., Cowman, M. K., Briller, S. O. & Cleland, R. L. (1983). On the limiting viscosity number of hyaluronate in potassium phosphate buffers between pH 6.5 and 8. Biopolymers, 22, 589-591.
    • (1983) Biopolymers , vol.22 , pp. 589-591
    • Balazs, E.A.1    Cowman, M.K.2    Briller, S.O.3    Cleland, R.L.4
  • 9
    • 0028151469 scopus 로고
    • Use of Taylor-Aris dispersion for measurement of a solute diffusion coefficient in thin capillaries
    • Bello, M. S., Rezzonico, R. & Righetti, P. G. (1994). Use of Taylor-Aris dispersion for measurement of a solute diffusion coefficient in thin capillaries. Science, 266, 773-776.
    • (1994) Science , vol.266 , pp. 773-776
    • Bello, M.S.1    Rezzonico, R.2    Righetti, P.G.3
  • 13
    • 0017359635 scopus 로고
    • The persistence length of hyaluronic acid: An estimate from small-angle x-ray scattering and intrinsic viscosity
    • Cleland, R. L. (1977). The persistence length of hyaluronic acid: an estimate from small-angle x-ray scattering and intrinsic viscosity. Arch. Biochem. Biophys. 180, 57-68.
    • (1977) Arch. Biochem. Biophys. , vol.180 , pp. 57-68
    • Cleland, R.L.1
  • 14
    • 0014725073 scopus 로고
    • Ionic polysaccharides. III. Dilute solution properties of hyaluronic acid fractions
    • Cleland, R. L. & Wang, J. L. (1970). Ionic polysaccharides. III. Dilute solution properties of hyaluronic acid fractions. Biopolymers, 9, 799-810.
    • (1970) Biopolymers , vol.9 , pp. 799-810
    • Cleland, R.L.1    Wang, J.L.2
  • 15
    • 0030574983 scopus 로고    scopus 로고
    • 13C-NMR studies of hyaluronan: Conformational sensitivity to varied environments
    • Cowman, M. K., Hittner, D. M. & Feder-Davis, J. (1996). 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
  • 17
    • 0026929209 scopus 로고
    • Influence of the ionic strength on the dimensions of sodium hyaluronate
    • Fouissac, E., Milas, M., Rinaudo, M. & 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
  • 18
    • 0027910832 scopus 로고
    • Shear-rate, concentration, molecular weight, and temperature viscosity dependence of hyaluronate, a worm-like polyelectrolyte
    • Fouissac, E., Milas, M. & Rinaudo, M. (1993). Shear-rate, concentration, molecular weight, and temperature viscosity dependence of hyaluronate, a worm-like polyelectrolyte. Macromolecules, 26, 6945-6951.
    • (1993) Macromolecules , vol.26 , pp. 6945-6951
    • Fouissac, E.1    Milas, M.2    Rinaudo, M.3
  • 19
    • 0025668039 scopus 로고
    • Apparent persistence lengths and diffusion behavior of high molecular weight hyaluronate
    • Ghosh, S., Xiao, L., Reed, C. E. & Reed, W. F. (1990). Apparent persistence lengths and diffusion behavior of high molecular weight hyaluronate. Biopolymers, 30, 1101-1112.
    • (1990) Biopolymers , vol.30 , pp. 1101-1112
    • Ghosh, S.1    Xiao, L.2    Reed, C.E.3    Reed, W.F.4
  • 22
    • 0029305544 scopus 로고
    • Chain-stiffness and excluded volume effects in solutions of sodium hyaluronate at high ionic strength
    • Hayashi, K., Tsutsumi, K., Nakajima, F., Norisuye, T. & Teramoto, A. (1995). Chain-stiffness and excluded volume effects in solutions of sodium hyaluronate at high ionic strength. Macromolecules, 28, 3824-3830.
    • (1995) Macromolecules , vol.28 , pp. 3824-3830
    • Hayashi, K.1    Tsutsumi, K.2    Nakajima, F.3    Norisuye, T.4    Teramoto, A.5
  • 24
    • 0030572693 scopus 로고    scopus 로고
    • Solution structure of the link module - A hyaluronan-binding domain involved in extracellular-matrix stability and cell-migration
    • Kohda, D., Morton, D. J., Parkar, A. A., Hatanaka, H., Inagaki, F. M., Campbell, I. D. & Day, A. J. (1996). Solution structure of the link module - a hyaluronan-binding domain involved in extracellular-matrix stability and cell-migration. Cell, 86, 767-775.
    • (1996) Cell , vol.86 , pp. 767-775
    • Kohda, D.1    Morton, D.J.2    Parkar, A.A.3    Hatanaka, H.4    Inagaki, F.M.5    Campbell, I.D.6    Day, A.J.7
  • 26
    • 4444223010 scopus 로고
    • Fractionation of hyaluronic acid. The polydispersity of hyaluronic acid from the bovine vitreous body
    • Laurent, T. C., Ryan, M. & Pietruszkiewicz, A. (1960). Fractionation of hyaluronic acid. The polydispersity of hyaluronic acid from the bovine vitreous body. Biochim. Biophys. Acta, 42, 476-485.
    • (1960) Biochim. Biophys. Acta , vol.42 , pp. 476-485
    • Laurent, T.C.1    Ryan, M.2    Pietruszkiewicz, A.3
  • 27
    • 0021095751 scopus 로고
    • Hyaluronic acid: Molecular conformation and interactions in the tetragonal form of the potassium salt containing extended chains
    • Mitra, A. K., Arnott, S. & Sheehan, J. K. (1983). Hyaluronic acid: molecular conformation and interactions in the tetragonal form of the potassium salt containing extended chains. J. Mol. Biol. 169, 813-827.
    • (1983) J. Mol. Biol. , vol.169 , pp. 813-827
    • Mitra, A.K.1    Arnott, S.2    Sheehan, J.K.3
  • 28
    • 0000372661 scopus 로고
    • Molecular vibrations and structure of high polymers. II. Helical parameters of infinite polymer chains as functions of bond lengths, bond angles, and internal rotation angles
    • Miyazawa, T. (1961). Molecular vibrations and structure of high polymers. II. Helical parameters of infinite polymer chains as functions of bond lengths, bond angles, and internal rotation angles. J. Polymer Sci. 55, 215-231.
    • (1961) J. Polymer Sci. , vol.55 , pp. 215-231
    • Miyazawa, T.1
  • 29
    • 0024330163 scopus 로고
    • The effects of pH on hyaluronate as observed by light scattering
    • Reed, C. E., Li, X. & Reed, W. F. (1989). The effects of pH on hyaluronate as observed by light scattering. Biopolymers, 28, 1981-2000.
    • (1989) Biopolymers , vol.28 , pp. 1981-2000
    • Reed, C.E.1    Li, X.2    Reed, W.F.3
  • 31
    • 0002130715 scopus 로고
    • Secondary structures in hyaluronan solutions: Chemical and biological implications
    • (Laurent, T. C., ed.), Ciba Foundation Symposium 143, Chichester, UK
    • Scott, J. E. (1989). Secondary structures in hyaluronan solutions: chemical and biological implications. In The Biology of Hyaluronan (Laurent, T. C., ed.), pp. 6-20, Ciba Foundation Symposium 143, Chichester, UK.
    • (1989) The Biology of Hyaluronan , pp. 6-20
    • Scott, J.E.1
  • 32
    • 0017884468 scopus 로고
    • Periodate oxidation and the shapes of glycosaminoglycuronans in solution
    • Scott, J. E. & 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
  • 33
    • 0019750646 scopus 로고
    • Secondary structures of hyaluronate and chondroitin sulphates
    • Scott, J. E., Heatley, F., Moorcroft, D. & 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
  • 34
    • 0021763399 scopus 로고
    • Secondary structure of hyaluronate in solution
    • Scott, J. E., Heatley, F. & 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
  • 35
    • 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. & 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
  • 36
    • 0001753203 scopus 로고
    • X-ray fibre diffraction study of the conformational changes in hyaluronate induced in the presence of sodium, potassium and calcium cations
    • Sheehan, J. K. & Atkins, E. D. T. (1983). X-ray fibre 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
  • 37
    • 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. & 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
  • 38
    • 0000843754 scopus 로고
    • Effect of the cations sodium, potassium and calcium on the interaction of hyaluronate chains: A light scattering and viscometric study
    • Sheehan, J. K., Arundel, C. & Phelps, C. F. (1983). Effect of the cations sodium, potassium and calcium on the interaction of hyaluronate chains: a light scattering and viscometric study. Int. J. Biol. Macromol. 5, 222-228.
    • (1983) Int. J. Biol. Macromol. , vol.5 , pp. 222-228
    • Sheehan, J.K.1    Arundel, C.2    Phelps, C.F.3
  • 39
    • 0016811417 scopus 로고
    • Viscosity and molecular weight of hyaluronic acids
    • Shimada, E. & Matsumura, G. (1975). Viscosity and molecular weight of hyaluronic acids. J. Biochem. 78, 513-517.
    • (1975) J. Biochem. , vol.78 , pp. 513-517
    • Shimada, E.1    Matsumura, G.2
  • 40
    • 84986534166 scopus 로고
    • New spherical cut-off methods for long range forces in macromolecular simulation
    • Steinbach, P. J. & 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
  • 41
    • 84984088684 scopus 로고
    • General method for calculating helical parameters of polymer chains from bond lengths, bond angles, and internal-rotation angles
    • Sugeta, H. & Miyazawa, T. (1967). General method for calculating helical parameters of polymer chains from bond lengths, bond angles, and internal-rotation angles. Biopolymers, 5, 673-679.
    • (1967) Biopolymers , vol.5 , pp. 673-679
    • Sugeta, H.1    Miyazawa, T.2
  • 42
    • 0003381083 scopus 로고
    • Dispersion of solute matter in solvent flowing slowly through a tube
    • Taylor, G. (1953). Dispersion of solute matter in solvent flowing slowly through a tube. Proc. Roy. Soc. ser. A, 219, 186-203.
    • (1953) Proc. Roy. Soc. Ser. A , vol.219 , pp. 186-203
    • Taylor, G.1
  • 43
    • 0242644023 scopus 로고
    • Translational friction coefficients of rigid, symmetric top macromolecules. Application to circular cylinders
    • Tirado, M. M. & Garcia de la Torre, G. (1979). Translational friction coefficients of rigid, symmetric top macromolecules. Application to circular cylinders. J. Chem. Phys. 71, 2581-2587.
    • (1979) J. Chem. Phys. , vol.71 , pp. 2581-2587
    • Tirado, M.M.1    Garcia De La Torre, G.2
  • 44
    • 0022979035 scopus 로고
    • More to hyaluronic acid than meets the eye
    • van Brunt, J. (1986). More to hyaluronic acid than meets the eye. Biotechnology, 4, 780-782.
    • (1986) Biotechnology , vol.4 , pp. 780-782
    • Van Brunt, J.1
  • 45
    • 84946450438 scopus 로고
    • Algorithms for macromolecular dynamics and constraint dynamics
    • van Gunsteren, W. F. & 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
  • 46
    • 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
  • 47
    • 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., Smith, P. J. C. & Arnott, S. (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    Arnott, S.3
  • 49
    • 5844368173 scopus 로고
    • The scattering of light and the radial distribution function of high polymer solutions
    • Zimm, B. H. (1948). The scattering of light and the radial distribution function of high polymer solutions. J. Chem. Phys. 16, 1099-1116.
    • (1948) J. Chem. Phys. , vol.16 , pp. 1099-1116
    • Zimm, B.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.