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Original Articles

Insights into binding modes of tumstatin peptide T7 with the active site of αvβ3 integrin

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Pages 498-508 | Received 13 Sep 2011, Accepted 09 Dec 2011, Published online: 24 Jan 2012

References

  • Maeshima , Y. , Torre , P.C.A. , Holthaus , K.A. , Grunkemeyer , J.A. , Ericksen , M.B. , Hopfer , H. , Xiao , Y.W. , Stillman , I.E. and Kalluri , R. 2000 . “ Distinct antitumor properties of a type IV collagen domain derived from basement membrane ” . In J. Biol. Chem. Vol. 275 , 21340 – 21348 .
  • Petitelerc , E. , Boutaud , A. , Prestayko , A. , Xu , J.S. , Sado , Y. , Ninomiya , Y. , Sarras , M.P. , Hudson , B.G. and Brooks , P.C. 2000 . New functions for non-collagenous domains of human collagen type IV. Novel integrin ligands inhibiting angiogenesis and tumor growth in vivo . J. Biol. Chem. , 275 : 8051 – 8061 .
  • Maeshima , Y. , Colorado , P.C. and Kalluri , R. 2000 . Two RGD-independent alpha v beta3 integrin binding sites on tumstatin regulate distinct anti-tumor properties . J. Biol. Chem. , 275 : 23745 – 23750 .
  • Maeshima , Y. , Manffredi , M. , Reimer , C. , Holthaus , K.A. , Hopfer , H. , Chandamuri , B.R. , Kharbanda , S. and Kalluri , R. 2001 . Identification of the anti-angiogenic site within vascular basement membrane-derived tumstatin . J. Biol. Chem. , 276 : 15240 – 15248 .
  • Maeshima , Y. , Sudhakar , A. , Lively , J.C. , Ueki , K. , Kharbanda , S. , Kahn , C.R. , Sonenberg , N. , Hynes , R.O. and Kalluri , R. 2002 . Tumstatin, an endothelial cell-specific inhibitor of protein synthesis . Science , 295 : 140 – 143 .
  • Maeshima , Y. , Yerramalla , U.L. , Dhanabal , M. , Dhanabal , M. , Holthaus , K.A. , Barbashov , S. , Kharbanda , S. , Reimer , C. , Manfredi , M. , Dickerson , W.M. and Kalluri , R. 2001 . Extracellular matrix-derived peptide binds to alpha(v)beta(3) integrin and inhibits angiogenesis . J. Biol. Chem. , 276 : 31959 – 31968 .
  • Sudhakar , A. , Sugimoto , H. , Yang , C. , Lively , J. , Zeisberg , M. and Kalluri , R. 2003 . Human tumstatin and human endostatin exhibit distinct antiangiogenic activities mediated by alpha v beta 3 and alpha 5 beta 1 integrins . PNAS , 100 : 4766 – 4771 .
  • Shahan , T.A. , Ziaie , Z. , Pasco , S. , Fawzi , A. , Bellon , G. , Monboisse , J.C. and Kefalides , N.A. 1999 . Identification of CD47/integrin-associated protein and alpha(v)beta3 as two receptors for the alpha3(IV) chain of type IV collagen on tumor cells . Cancer Res. , 59 : 4584 – 4590 .
  • Fujii , Y. , Okuda , D. , Fujimoto , Z. , Horii , K. , Morita , T. and Mizuno , H. 2003 . Crystal structure of trimestatin, a disintegrin containing a cell adhesion recognition motif RGD . J. Mol. Biol. , 332 : 1115 – 1122 .
  • Choi , Y. , Kim , E. , Lee , Y. , Han , M.H. and Kang , I.C. 2010 . Site-specific inhibition of integrin avb3-vitronectin association by a Ser-Asp-Val sequence through an Arg-Gly-Asp-binding site of the integrin . Proteomics , 10 : 72 – 80 .
  • McQuade , P. and Knlght , L.C. 2003 . Radiopharmaceuticals for targeting the angiogenesis marker alpha(v)beta(3) . Q. J. Nucl. Med. , 47 : 209 – 220 .
  • Chemical Computing Group, Inc. 2008 . Montreal, Canada : CCG .
  • Hess , B. , Kutzner , C. , Spoel , D.V.D. and Lindahl , E. 2008 . GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation . J. Chem. Theory Comput. , 4 : 435 – 447 .
  • Berendsen , H.J.C. , Spoel , D.V. and Drunen , R.V. 1995 . GROMACS: A message-passing parallel molecular dynamics implementation . Comput. Phys. Commun. , 91 : 43 – 56 .
  • Daura , X. , Mark , A.E. and van Gunsteren , W.F. 1998 . Parametrization of aliphatic CHn united atoms of GROMOS96 force field . J. Comput. Chem. , 19 : 535 – 547 .
  • Berendsen , H.J.C. , Postma , J.P.M. , Gunsteren , W.F. and Hermans , J. 1981 . “ Interaction models for water in relation to protein hydration ” . In Intermolecular Forces , Edited by: Pullman , B. 331 – 342 . Dordrecht : Reidel Publ. .
  • Darden , T. , York , D. and Pedersen , L. 1993 . Particle mesh Ewald: An N* log (N) method for computing Ewald sums . J. Chem. Phys. , 98 : 10089 – 10092 .
  • Xiong , J.P. , Stehle , T. , Zhang , R. , Joachimiak , A. , Frech , M. , Goodman , S.L. and Arnaout , M.A. 2002 . Crystal structure of the extracellular segment of integrin alpha V beta3 in complex with an Arg-Gly-Asp ligand . Science , 296 : 151 – 155 .
  • Case , D.A. , Darden , T.A. , Cheatham , T.E. , Simmerling , C.L. , Wang , J. , Duke , R.E. , Duke , R.E. , Luo , R. , Crowley , M. , Walker , R.C. , Zhang , W. , Merz , K.M. , Wang , B. , Hayik , S. , Roitberg , A. , Seabra , G. , Kolossváry , I. , Wong , K.F. , Paesani , F. , Vanicek , J. , Wu , X. , Brozell , S.R. , Steinbrecher , T. , Gohlke , H. , Yang , L. , Tan , C. , Mongan , J. , Hornak , V. , Cui , G. , Mathews , D.H. , Seetin , M.G. , Sagui , C. , Babin , V. and Kollman , P.A. 2008 . San Francisco, CA : University of California . AMBER 10
  • Wang , J.M. , Cieplak , P. and Kollman , P.A. 2000 . How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules . J. Comput. Chem. , 21 : 1049 – 1074 .
  • Jorgensen , W.L. , Chandrasekhar , J. and Madura , J.D. 1983 . Comparison of simple potential functions for simulating liquid water . J. Chem. Phys. , 79 : 926 – 935 .
  • Ryckaert , J.P. , Ciccotti , G. and Berendsen , H.J.C. 1977 . Numerical integration of the Cartesian equation of motion of a system with constraints: Molecular dynamics of n-alkanes . J. Comput. Phys. , 23 : 327 – 341 .
  • Srinivasan , J. , Miller , J. , Kollman , P.A. and Case , D.A. 1998 . Continuum solvent studies of the stability of RNA hairpin loops and helices . J. Biomol. Struct. Dyn. , 16 : 671 – 682 .
  • Kollman , P.A. , Massova , I. , Reyes , C. , Kuhn , B. , Huo , S. , Chong , L. , Lee , M. , Lee , T.S. , Dong , Y. , Wang , W. , Donini , O. , Cieplak , P. , Srinivasan , J. , Case , D.A. and Chaetham , T.E. 2002 . Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models . Acc. Chem. Res. , 33 : 889 – 897 .
  • Onufriev , A. , Bashford , D. and Case , D.A. 2000 . Modification of the generalized Born model suitable for macromolecules . J. Phys. Chem. B , 104 : 3712 – 3720 .
  • Weiser , J. , Shenkin , P.S. and Still , W.C. 1999 . Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO) . J. Comput. Chem. , 20 : 217 – 230 .
  • Scheiner , S. 2006 . Contributions of NH…O and CH…O hydrogen bonds to the stability of beta-sheets in proteins . J. Phys. Chem. B , 110 : 18670 – 18679 .
  • Daidone , I. , Ulmschneider , M.B. , Nola , A.D. , Amadei , A. and Smith , J.C. 2007 . Dehydration-driven solvent exposure of hydrophobic surfaces as a driven force in peptide folding . PNAS , 104 : 15230 – 15235 .
  • Wang , C.X. , Shi , Y.Y. , Zhou , F. and Wang , L. 1993 . Thermodynamic integration calculations of binding free energy difference for Gly-169 mutation in subtilisin BPN . Proteins , 15 : 5 – 9 .
  • Michishita , M. , Videm , V. and Arnaout , M.A. 1993 . A novel divalent cation-binding site in the A domain of the beta 2 integrin CR3 (CD11b/CD18) is essential for ligand binding . Cell , 72 : 857 – 867 .
  • Lee , J.O. , Rieu , P. , Arnaout , M.A. and Liddington , R. 1995 . Crystal structure of the A domain from the alpha subunit of integrin CR3 (CD11b/CD18) . Cell , 80 : 631 – 638 .
  • Humphries , M.J. 2000 . Integrin structure . Biochem. Soc. Trans. , 4 : 311 – 315 .
  • Dransfield , I. , Cabanas , C. , Craig , A. and Hogg , N. 1992 . Divalent cation regulation of the function of the leukocyte integrin LFA-1 . J. Cell. Biol. , 116 : 219 – 226 .
  • Gailit , J. and Ruoslahti , E. 1988 . Regulation of the fibronectin receptor affinity by divalent cations . J. Biol. Chem. , 263 : 12927 – 12932 .
  • Fass , D. , Blacklow , S. and Kim , P.S. 1997 . Molecular basis of familial hypercholesterolaemia from structure of LDL receptor module . Nature , 388 : 691 – 693 .
  • Xiong , J.P. , Stehle , T. , Diefenbach , B. , Zhang , R.G. , Dunker , R. , Scot , D.L. , Joachimiak , A. , Goodman , S.L. and Arnaout , M.A. 2001 . Crystal structure of the extracellular segment of integrin alpha Vbeta3 . Science , 294 : 339 – 345 .
  • Dechantsreiter , M.A. , Planker , E. , Matha , B. , Lohof , E. , Hölzemann , G. , Jonczyk , A. , Goodman , S.L. and Kessler , H. 1999 . N-methylated cyclic RGD peptides as highly active and selective alpha Vbeta3 integrin antagonists . J. Med. Chem. , 42 : 3033 – 3040 .
  • Haubner , R. , Gratias , R. , Diefenbach , B. , Goodman , S.L. , Jonczyk , A. and Kessler , H. 1996 . Structural and functional aspects of RGD-containing cyclic pentapeptides as highly potent and selective integrin alpha Vbeta3 antagonists . J. Am. Chem. Soc. , 118 : 7461 – 7472 .
  • Lohof , E. , Planker , E. , Mang , C. , Burkhart , F. , Dechantsreiter , M.A. , Haubner , R. , Wester , H.J. , Schwaiger , M. , Holzemann , G. , Goodman , S.L. and Kessler , H. 2000 . Carbohydrate derivatives for use in drug design: Cyclic alpha(v)-selective RGD peptides . Angew. Chem. Int. Ed. , 39 : 2761 – 2764 .
  • Gottschalk , K.E. and Kessler , H. 2002 . The structures of integrins and integrin-ligand complexes: Implications for drug design and signal transduction . Chem. Int. Ed. , 41 : 3767 – 3774 .
  • Marinelli , L. , Lavecchia , A. , Gottschalk , K.E. , Novellino , E. and Kessler , H. 2003 . Docking studies on alpha Vbeta3 integrin ligands: Pharmacophore refinement and implications for drug design . J. Med. Chem. , 46 : 4393 – 4404 .
  • Feuston , B.P. , Culberson , J.C. , Duggan , M.E. , Hartman , G.D. , Leu , C.T. and Rodan , S.B. 2002 . Binding model for nonpeptide antagonists of alpha(v)beta(3) integrin . J. Med. Chem. , 45 : 5640 – 5648 .
  • Eikesdal , H.P. , Sugimoto , H. , Birrane , G. , Maeshima , Y. , Cooke , V.G. , Kieran , M. and Kalluri , R. 2008 . Identification of amino acids essential for the antiangiogenic activity of tumstatin and its use in combination antitumor activity . PNAS , 105 : 15040 – 15045 .

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