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Volumn 119, Issue 3, 2015, Pages 1002-1016

Exploring a Non-ATP pocket for potential allosteric modulation of pi3kα

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; PROTEINS;

EID: 84921511844     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp506423e     Document Type: Article
Times cited : (31)

References (62)
  • 2
    • 0036632368 scopus 로고    scopus 로고
    • The phosphatidylinositol 3-Kinase AKT pathway in human cancer
    • Vivanco, I.; Sawyers, C. L. The phosphatidylinositol 3-Kinase AKT pathway in human cancer Nat. Rev. Cancer 2002, 2, 489-501
    • (2002) Nat. Rev. Cancer , vol.2 , pp. 489-501
    • Vivanco, I.1    Sawyers, C.L.2
  • 3
    • 0037205048 scopus 로고    scopus 로고
    • The phosphoinositide 3-kinase pathway
    • Cantley, L. C. The phosphoinositide 3-kinase pathway Science 2002, 296, 1655-1657
    • (2002) Science , vol.296 , pp. 1655-1657
    • Cantley, L.C.1
  • 4
    • 67749122122 scopus 로고    scopus 로고
    • Targeting PI3K signalling in cancer: Opportunities, challenges and limitations
    • Engelman, J. A. Targeting PI3K signalling in cancer: opportunities, challenges and limitations Nat. Rev. Cancer 2009, 9, 550-562
    • (2009) Nat. Rev. Cancer , vol.9 , pp. 550-562
    • Engelman, J.A.1
  • 8
    • 84907457165 scopus 로고    scopus 로고
    • 2013 Philip S. Portoghese Medicinal Chemistry Lectureship: Drug Discovery Targeting Allosteric Sites
    • Lindsley, C. W. 2013 Philip S. Portoghese Medicinal Chemistry Lectureship: Drug Discovery Targeting Allosteric Sites. J. Med. Chem. 2014.
    • (2014) J. Med. Chem.
    • Lindsley, C.W.1
  • 9
    • 84879882962 scopus 로고    scopus 로고
    • The concept of allosteric modulation: An overview. Drug discovery today
    • Changeux, J. P. The concept of allosteric modulation: an overview. Drug discovery today Technologies 2013, 10, e223-228
    • (2013) Technologies , vol.10 , pp. 223-228
    • Changeux, J.P.1
  • 13
    • 84870680416 scopus 로고    scopus 로고
    • Clinical development of phosphatidylinositol 3-kinase inhibitors for cancer treatment
    • Brana, I.; Siu, L. L. Clinical development of phosphatidylinositol 3-kinase inhibitors for cancer treatment BMC Med. 2012, 10, 161
    • (2012) BMC Med. , vol.10 , pp. 161
    • Brana, I.1    Siu, L.L.2
  • 14
    • 84893875390 scopus 로고    scopus 로고
    • The structural basis of PI3K cancer mutations: From mechanism to therapy
    • Liu, S.; Knapp, S.; Ahmed, A. A. The structural basis of PI3K cancer mutations: from mechanism to therapy Cancer Res. 2014, 74, 641-646
    • (2014) Cancer Res. , vol.74 , pp. 641-646
    • Liu, S.1    Knapp, S.2    Ahmed, A.A.3
  • 16
    • 84907550640 scopus 로고    scopus 로고
    • PIK3CA mutations are associated with lower rates of pathologic complete response to anti-human epidermal growth factor receptor 2 (HER2) therapy in primary HER2-overexpressing breast cancer
    • Loibl, S.; von Minckwitz, G.; Schneeweiss, A.; Paepke, S.; Lehmann, A.; Rezai, M.; Zahm, D. M.; Sinn, P.; Khandan, F.; Eidtmann, H. PIK3CA mutations are associated with lower rates of pathologic complete response to anti-human epidermal growth factor receptor 2 (HER2) therapy in primary HER2-overexpressing breast cancer. J. Clin. Oncol. 2014.
    • (2014) J. Clin. Oncol.
    • Loibl, S.1    Von Minckwitz, G.2    Schneeweiss, A.3    Paepke, S.4    Lehmann, A.5    Rezai, M.6    Zahm, D.M.7    Sinn, P.8    Khandan, F.9    Eidtmann, H.10
  • 20
    • 84864918733 scopus 로고    scopus 로고
    • Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases
    • Hon, W.-C.; Berndt, A.; Williams, R. Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases Oncogene 2012, 31, 3655-3666
    • (2012) Oncogene , vol.31 , pp. 3655-3666
    • Hon, W.-C.1    Berndt, A.2    Williams, R.3
  • 22
    • 84921458817 scopus 로고    scopus 로고
    • Allosteric modulators of G protein-coupled receptors
    • Wells, G. J. Allosteric modulators of G protein-coupled receptors Curr. Top. Med. Chem. 2014, 14, 1735-7
    • (2014) Curr. Top. Med. Chem. , vol.14 , pp. 1735-1737
    • Wells, G.J.1
  • 24
    • 84857759143 scopus 로고    scopus 로고
    • The different ways through which specificity works in orthosteric and allosteric drugs
    • Nussinov, R.; Tsai, C. J. The different ways through which specificity works in orthosteric and allosteric drugs Curr. Pharm. Des. 2012, 18, 1311-1316
    • (2012) Curr. Pharm. Des. , vol.18 , pp. 1311-1316
    • Nussinov, R.1    Tsai, C.J.2
  • 26
    • 84906827756 scopus 로고    scopus 로고
    • Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders
    • Conn, P. J.; Lindsley, C. W.; Meiler, J.; Niswender, C. M. Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders Nat. Rev. Drug Discovery 2014, 13, 692-708
    • (2014) Nat. Rev. Drug Discovery , vol.13 , pp. 692-708
    • Conn, P.J.1    Lindsley, C.W.2    Meiler, J.3    Niswender, C.M.4
  • 29
    • 84888333782 scopus 로고    scopus 로고
    • 50 years of allosteric interactions: The twists and turns of the models
    • Changeux, J. P. 50 years of allosteric interactions: the twists and turns of the models Nat. Rev. Mol. Cell Biol. 2013, 14, 819-829
    • (2013) Nat. Rev. Mol. Cell Biol. , vol.14 , pp. 819-829
    • Changeux, J.P.1
  • 30
    • 1642357706 scopus 로고    scopus 로고
    • The many roles of computation in drug discovery
    • Jorgensen, W. L. The many roles of computation in drug discovery Science 2004, 303, 1813-1818
    • (2004) Science , vol.303 , pp. 1813-1818
    • Jorgensen, W.L.1
  • 31
    • 67649225348 scopus 로고    scopus 로고
    • Efficient drug lead discovery and optimization
    • Jorgensen, W. L. Efficient drug lead discovery and optimization Acc. Chem. Res. 2009, 42, 724-733
    • (2009) Acc. Chem. Res. , vol.42 , pp. 724-733
    • Jorgensen, W.L.1
  • 32
    • 0031320150 scopus 로고    scopus 로고
    • Computational approaches to molecular recognition
    • Lamb, M. L.; Jorgensen, W. L. Computational approaches to molecular recognition Curr. Opin. Chem. Biol. 1997, 1, 449-457
    • (1997) Curr. Opin. Chem. Biol. , vol.1 , pp. 449-457
    • Lamb, M.L.1    Jorgensen, W.L.2
  • 33
    • 0027136282 scopus 로고
    • Comparative protein modelling by satisfaction of spatial restraints
    • Sali, A.; Blundell, T. Comparative protein modelling by satisfaction of spatial restraints J. Mol. Biol. 1993, 234, 779-815
    • (1993) J. Mol. Biol. , vol.234 , pp. 779-815
    • Sali, A.1    Blundell, T.2
  • 36
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
    • Hess, B.; Carsten, K.; David, v. d. S.; Erik, L. GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 2008, 4, 435-447
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Carsten, K.2    David, V.D.S.3    Erik, L.4
  • 39
    • 84865228751 scopus 로고    scopus 로고
    • ACPYPE - AnteChamber PYthon Parser interfacE
    • Sousa da Silva, A. W.; Vranken, W. F. ACPYPE-AnteChamber PYthon Parser interfacE BMC Res. Notes 2012, 5, 367
    • (2012) BMC Res. Notes , vol.5 , pp. 367
    • Sousa Da Silva, A.W.1    Vranken, W.F.2
  • 40
    • 33748538349 scopus 로고    scopus 로고
    • Automatic atom type and bond type perception in molecular mechanical calculations
    • Wang, J.; Wang, W.; Kollman, P. A.; Case, D. A. Automatic atom type and bond type perception in molecular mechanical calculations J. Mol. Graphics Modell. 2006, 25, 247-260
    • (2006) J. Mol. Graphics Modell. , vol.25 , pp. 247-260
    • Wang, J.1    Wang, W.2    Kollman, P.A.3    Case, D.A.4
  • 43
    • 84943502952 scopus 로고
    • A molecular dynamics method for simulations in the canonical ensemble
    • Nose, S. A molecular dynamics method for simulations in the canonical ensemble Mol. Phys. 1984, 255-268
    • (1984) Mol. Phys. , pp. 255-268
    • Nose, S.1
  • 44
    • 0019707626 scopus 로고
    • Polymorphic transitions in single crystals: A new molecular dynamics method
    • Parrinello, M.; Rahman, A. Polymorphic transitions in single crystals: A new molecular dynamics method J. Appl. Phys. 1981, 52, 7182-7190
    • (1981) J. Appl. Phys. , vol.52 , pp. 7182-7190
    • Parrinello, M.1    Rahman, A.2
  • 50
    • 0000577041 scopus 로고
    • Large-amplitude nonlinear motions in proteins
    • Garcia, A. E. Large-amplitude nonlinear motions in proteins Phys. Rev. Lett. 1992, 68, 2696-2699
    • (1992) Phys. Rev. Lett. , vol.68 , pp. 2696-2699
    • Garcia, A.E.1
  • 52
    • 84934444735 scopus 로고    scopus 로고
    • Normal modes and essential dynamics
    • Hayward, S.; de Groot, B. L. Normal modes and essential dynamics Methods Mol. Biol. 2008, 443, 89-106
    • (2008) Methods Mol. Biol. , vol.443 , pp. 89-106
    • Hayward, S.1    De Groot, B.L.2
  • 53
    • 84872012970 scopus 로고    scopus 로고
    • Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations
    • Chiappori, F.; Merelli, I.; Colombo, G.; Milanesi, L.; Morra, G. Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations PLoS Comput. Biol. 2012, 8, e1002844
    • (2012) PLoS Comput. Biol. , vol.8 , pp. 1002844
    • Chiappori, F.1    Merelli, I.2    Colombo, G.3    Milanesi, L.4    Morra, G.5
  • 56
    • 84856694630 scopus 로고    scopus 로고
    • The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation
    • Lovera, S.; Sutto, L.; Boubeva, R.; Scapozza, L.; Dolker, N.; Gervasio, F. L. The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation J. Am. Chem. Soc. 2012, 134, 2496-2499
    • (2012) J. Am. Chem. Soc. , vol.134 , pp. 2496-2499
    • Lovera, S.1    Sutto, L.2    Boubeva, R.3    Scapozza, L.4    Dolker, N.5    Gervasio, F.L.6
  • 57
    • 84876355112 scopus 로고    scopus 로고
    • Inhibition of tumor angiogenesis and growth by a small-molecule multi-FGF receptor blocker with allosteric properties
    • Bono, F.; De Smet, F.; Herbert, C.; De Bock, K.; Georgiadou, M.; Fons, P.; Tjwa, M.; Alcouffe, C.; Ny, A. Inhibition of tumor angiogenesis and growth by a small-molecule multi-FGF receptor blocker with allosteric properties Cancer Cell 2013, 23, 477-488
    • (2013) Cancer Cell , vol.23 , pp. 477-488
    • Bono, F.1    De Smet, F.2    Herbert, C.3    De Bock, K.4    Georgiadou, M.5    Fons, P.6    Tjwa, M.7    Alcouffe, C.8    Ny, A.9
  • 59
    • 0033634827 scopus 로고    scopus 로고
    • Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine
    • Walker, E. H.; Pacold, M. E.; Perisic, O.; Stephens, L.; Hawkins, P. T.; Wymann, M. P.; Williams, R. L. Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine Mol. Cell 2000, 6, 909-919
    • (2000) Mol. Cell , vol.6 , pp. 909-919
    • Walker, E.H.1    Pacold, M.E.2    Perisic, O.3    Stephens, L.4    Hawkins, P.T.5    Wymann, M.P.6    Williams, R.L.7
  • 60
    • 84867744642 scopus 로고    scopus 로고
    • Exploiting protein flexibility to predict the location of allosteric sites
    • Panjkovich, A.; Daura, X. Exploiting protein flexibility to predict the location of allosteric sites BMC Bioinf. 2012, 13, 273
    • (2012) BMC Bioinf. , vol.13 , pp. 273
    • Panjkovich, A.1    Daura, X.2
  • 62
    • 5444228851 scopus 로고    scopus 로고
    • Disruption of protein-membrane binding and identification of small-molecule inhibitors of coagulation factor VIII
    • Spiegel, P.; Kaiser, S.; Simon, J.; Stoddard, B. Disruption of protein-membrane binding and identification of small-molecule inhibitors of coagulation factor VIII Chem. Biol. 2004, 11, 1413-1422
    • (2004) Chem. Biol. , vol.11 , pp. 1413-1422
    • Spiegel, P.1    Kaiser, S.2    Simon, J.3    Stoddard, B.4


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