Abstract
In a first report, we used the “ In Silico Screening ” rational design for the identification of a new immunosuppressive peptides. The molecule predicted to he best, coded as RDP1258, displayed an immunosuppressive activity approximately 1000 times higher than the lead compound: 30% of mice heart allografts survived for more than 100 days, with a dose 80 times lower than that of the lead compound.
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G. Grassy, B. Calas, A. Yasri, R. Lahana, J. Woo, S. Iyer, M. Kaczorek, R. Floc’h and R. Buelow, “In Silico Screening” applied to the rational design of immunosuppressive compounds. Nature Biotech., 748–752 (1998).
L. Gao, J. Woo, and R. Buelow, Both I,- and D-isomers of HLA class 1 heavy chain derived peptides prolong heart allograft survival in mice. Heart and Lung Transplantation, 15: 7887 (1996).
R. Buelow, P. Veyron, C. Clayberger, P. Pouletty, and J.L. Touraine, Prolongation of skin allograft survival in mice following administration of Allotrap. Transplantation, 59: 455–460 (1995).
J. Woo. S. Lyer, M.C. Cornejo, L. Gao, C. Cuturi, Soulillou and R. Buelow, Immunosuppression by HLA Class I heavy chain (amino acid 75 to 84). derived peptides is independent of binding to Hsc70. Transplantation, 64: 1460–1467 (1997).
S. Iyer, J. Woo, M.C. Cornejo, L. Gao, W. McCoubrey, M. Maines, and R. Buelow, Characterization and biological significance of immunosuppressive peptide D2702.75–84 (EV) binding protein: Isolation of heure oxygenase. J Biol Chem, 273: 2692–2697 (1998).
J. Woo, S. Iyer, M.C. Comejo, N. Mori, L. Gao, and R. Buelow, Stress induced immunosuppression: Inhibition of Cellular immune effector functions following overexpression of heat shock protein 32. Transplantation Immunology, (1998) in press.
D. Willis, A.R. Moore, R. Frederick, and D.A. Willoughby, Herne oxygenase: A novel target for the modulation of the inflammatory response. Nature Med., 2: 87–90 (1996).
M. Laniado-Schwartzmann, N.G. Abraham, M. Corniers, M.W. Dunn, R.D. Levere, and A. Kappas, Heure oxygenase induction with attenuation of experimentally induced corneal inflammation. Biochem. Pharmacol., 53 (8): 1069–1075 (1997).
P. Broto, G. Moreau, and Van C. Dycke, Molecular structures: perception, autocorrelation descriptor and SAR studies. Eur. J. Med. Chem.–Chim. Theor., 19: 61–70 (1984).
A. Yasri, L. Chiche, J. Haiech, and G. Grassy, Rational choice of molecular dynamics simulation parameters through the use of conformational autocorrelation 3-D Method. Application to Calmoduline flexibility study. Protein Engineering, 9 (11): 959–976 (1996).
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Yasri, A., Kaczorek, M., Lahana, R., Grassy, G., Buelow, R. (2000). Use of MD-Derived Shape Descriptors as a Novel Way to Predict the in Vivo Activity of Flexible Molecules. In: Gundertofte, K., Jørgensen, F.S. (eds) Molecular Modeling and Prediction of Bioactivity. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4141-7_12
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DOI: https://doi.org/10.1007/978-1-4615-4141-7_12
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