T315I-mutated Bcr-Abl in chronic myeloid leukemia and imatinib: insights from a computational study
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Maurizio Fermeglia | Marco Ferrone | Sabrina Pricl | Elena Tamborini | M. Ferrone | M. Fermeglia | S. Pricl | E. Tamborini
[1] T. Papayannopoulou,et al. Chronic myelocytic leukemia: clonal origin in a stem cell common to the granulocyte, erythrocyte, platelet and monocyte/macrophage. , 1977, The American journal of medicine.
[2] J. Stephenson,et al. Philadelphia chromosomal breakpoints are clustered within a limited region, bcr, on chromosome 22 , 1984, Cell.
[3] P. Kollman,et al. A well-behaved electrostatic potential-based method using charge restraints for deriving atomic char , 1993 .
[4] M. Miranda,et al. Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo [4,5,1-jk][1,4]benzodiazepin-2(1H)-one (TIBO) derivatives. 3. , 1991, Journal of medicinal chemistry.
[5] B. Druker,et al. Roots of Clinical Resistance to STI-571 Cancer Therapy , 2001, Science.
[6] M. Varella‐Garcia,et al. Induction of resistance to the Abelson inhibitor STI571 in human leukemic cells through gene amplification. , 2000, Blood.
[7] T. Caspersson,et al. Identification of the Philadelphia chromosome as a number 22 by quinacrine mustard fluorescence analysis. , 1970, Experimental cell research.
[8] K. Sharp,et al. Calculating the electrostatic potential of molecules in solution: Method and error assessment , 1988 .
[9] J. Kuriyan,et al. Multiple BCR-ABL kinase domain mutations confer polyclonal resistance to the tyrosine kinase inhibitor imatinib (STI571) in chronic phase and blast crisis chronic myeloid leukemia. , 2002, Cancer cell.
[10] P. Kollman,et al. Investigating the binding specificity of U1A-RNA by computational mutagenesis. , 2000, Journal of molecular biology.
[11] L Wang,et al. Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7. , 1999, Proceedings of the National Academy of Sciences of the United States of America.
[12] J. Rowley. A New Consistent Chromosomal Abnormality in Chronic Myelogenous Leukaemia identified by Quinacrine Fluorescence and Giemsa Staining , 1973, Nature.
[13] E. Canaani,et al. Fused transcript of abl and bcr genes in chronic myelogenous leukaemia , 1985, Nature.
[14] J. Melo,et al. Selection and characterization of BCR-ABL positive cell lines with differential sensitivity to the tyrosine kinase inhibitor STI571: diverse mechanisms of resistance. , 2000, Blood.
[15] P. Kollman,et al. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules , 1995 .
[16] Rocco Piazza,et al. Molecular mechanisms of resistance to imatinib in Philadelphia-chromosome-positive leukaemias. , 2003, The Lancet. Oncology.
[17] P. Kollman,et al. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197 , 1996 .
[18] WM. CHAPPELL,et al. Molecular Vibrations , 1879, Nature.
[19] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[20] J. Griffin,et al. Mechanism of resistance to the ABL tyrosine kinase inhibitor STI571 in BCR/ABL-transformed hematopoietic cell lines. , 2000, Blood.
[21] P. Kollman,et al. Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate−DNA Helices , 1998 .
[22] M. Sanner,et al. Reduced surface: an efficient way to compute molecular surfaces. , 1996, Biopolymers.
[23] H. Kantarjian,et al. Mutation in the ATP-binding pocket of the ABL kinase domain in an STI571-resistant BCR/ABL-positive cell line. , 2002, Cancer research.
[24] C. Peschel,et al. BCR-ABL gene mutations in relation to clinical resistance of Philadelphia-chromosome-positive leukaemia to STI571: a prospective study , 2002, The Lancet.
[25] K. Antman,et al. Imatinib mesylate--a new oral targeted therapy. , 2002, The New England journal of medicine.
[26] H. Berendsen,et al. Molecular dynamics with coupling to an external bath , 1984 .
[27] R. Pauwels,et al. Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin- 2(1H)-one (TIBO) derivatives. , 1991, Journal of medicinal chemistry.
[28] P. N. Rao,et al. Clinical Resistance to STI-571 Cancer Therapy Caused by BCR-ABL Gene Mutation or Amplification , 2001, Science.
[29] John Kuriyan,et al. Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571). , 2001, Cancer research.
[30] P. Seeburg,et al. Structural mechanism for STI-571 inhibition of abelson tyrosine kinase. , 2000, Science.
[31] C. Sawyers,et al. Efficacy and safety of a specific inhibitor of the BCR-ABL tyrosine kinase in chronic myeloid leukemia. , 2001, The New England journal of medicine.
[32] C. Sawyers,et al. Activity of a specific inhibitor of the BCR-ABL tyrosine kinase in the blast crisis of chronic myeloid leukemia and acute lymphoblastic leukemia with the Philadelphia chromosome. , 2001, The New England journal of medicine.
[33] Jürg Zimmermann,et al. Effects of a selective inhibitor of the Abl tyrosine kinase on the growth of Bcr–Abl positive cells , 1996, Nature Medicine.
[34] K. Sharp,et al. Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models , 1994 .
[35] C. Barthe,et al. Roots of clinical resistance to STI-571 cancer therapy. , 2001, Science.
[36] Junmei Wang,et al. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? , 2000, J. Comput. Chem..
[37] B. Druker,et al. Analysis of the Structural Basis of Specificity of Inhibition of the Abl Kinase by STI571* , 2002, The Journal of Biological Chemistry.
[38] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[39] J. Stephenson,et al. Localization of the c-abl oncogene adjacent to a translocation break point in chronic myelocytic leukaemia , 1983, Nature.
[40] B. Druker,et al. Molecular and chromosomal mechanisms of resistance to imatinib (STI571) therapy , 2002, Leukemia.
[41] G. Prendergast. Molecular cancer therapeutics : strategies for drug discovery and development , 2005 .
[42] Eamonn F. Healy,et al. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model , 1985 .