|
[1]
|
S. P. Wang, W. L. Wang, Y. L. Chang, et al. p53 controls cancer cell invasion by inducing the MDM2-mediated degradation of Slug. Nature Cell Biology, 2009, 11(6): 694-704.
|
|
[2]
|
K. H. Vousden, D. P. Lane. p53 in health and disease. Nature Reviews Molecular Cell Biology, 2007, 8(4): 275-283.
|
|
[3]
|
A. Shmueli, M. Oren. Regulation of p53 by Mdm2: Fate is in the numbers. Molecular Cell, 2004, 13(1): 4-5.
|
|
[4]
|
S. Uldrijan, W. J. Pannekoek and K. H. Vousden. An essential function of the extreme C-terminus of MDM2 can be provided by MDMX. The EMBO Journal, 2006, 26(1): 102-112.
|
|
[5]
|
G. M. Popowicz, A. Czarna and S. Wolf. Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery. Cell Cycle, 2010, 9(6): 1104-1111.
|
|
[6]
|
T. L. Joseph, A. Madhumalar, C. J. Brown, et al. Differential binding of p53 and nutlin to MDM2 and MDMX: Computational studies. Cell Cycle, 2010, 9(6): 1167-1181.
|
|
[7]
|
J. Chen, D. Zhang, Y. Zhang, et al. Computational studies of difference in binding modes of peptide and non-peptide inhibitors to MDM2/MDMX based on molecular dynamics simulations. International Journal of Molecular Sciences, 2012, 13(2): 2176- 2195.
|
|
[8]
|
M. Pazgier, M. Liu, G. Zou, et al. Structural basis for high- affinity peptide inhibition of p53 interactions with MDM2 and MDMX. Proceedings of the National Academy of Sciences, 2009, 106(12): 4665-4670.
|
|
[9]
|
Y. F. M. Ramos, R. Stad, J. Attema, et al. Aberrant expression of HDMX proteins in tumor cells correlates with wild-type p53. Cancer Research, 2001, 61(5): 1839-1842.
|
|
[10]
|
J. Phan, Z. Li, A. Kasprzak, et al. Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. The Journal of Biological Chemistry, 2010, 285(3): 2174-2183.
|
|
[11]
|
A. Czarna, G. M. Popowicz, A. Pecak, et al. High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx. Cell Cycle, 2009, 8(8): 1176-1184.
|
|
[12]
|
K. Ding, Y. Lu, Z. Nikolovska-Coleska, et al. Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction. Journal of Medicinal Chemistry, 2006, 49(12): 3432-3435.
|
|
[13]
|
J. K. Murray, S. H. Gellman. Targeting protein-protein interactions: Lessons from p53/MDM2. Biopolymers, 2007, 88(5): 657-686.
|
|
[14]
|
B. L. Grasberger, T. Lu, C. Schubert, et al. Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells. Journal of Medicinal Chemistry, 2005, 48(4): 909-912.
|
|
[15]
|
J. Chen, S. Zhang, X. Liu, et al. Insights into drug resistance of mutations D30N and I50V to HIV-1 protease inhibitor TMC-114: Free energy calculation and molecular dynamic simulation. Journal of Molecular Modeling, 2010, 16(3): 459-468.
|
|
[16]
|
E. L. Wu, K. L. Han and J. Z. H. Zhang. Selectivity of neutral/ weakly basic P1 group inhibitors of thrombin and trypsin by a molecular dynamics study. Chemistry—A European Journal, 2008, 14(28): 8704-8714.
|
|
[17]
|
T. Hou, R. Yu. Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: Mechanism for binding and drug resistance. Journal of Medicinal Chemistry, 2007, 50(6): 1177-1188.
|
|
[18]
|
J. Chen, J. Wang, B. Xu, et al. Insight into mechanism of small molecule inhibitors of the MDM2-p53 Interaction: Molecular dynamics simulation and free energy analysis. Journal of Molecular Graphics and Modelling, 2011: 46-53.
|
|
[19]
|
J. Wang, P. Morin, W. Wang, et al. Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA. Journal of the American Chemical Society, 2001, 123(22): 5221-5230.
|
|
[20]
|
J. Wang, R. M. Wolf, J. W. Caldwell, et al. Development and testing of a general amber force field. Journal of Computational Chemistry, 2004, 25(9): 1157-1174.
|
|
[21]
|
W. Wang, P. A. Kollman. Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model1. Journal of Molecular Biology, 2000, 303(4): 567-582.
|
|
[22]
|
J. Chen, M. Yang, G. Hu, et al. Insights into the functional role of protonation states in the HIV-1 protease-BEA369 complex: Molecular dynamics simulations and free energy calculations. Journal of Molecular Modeling, 2009, 15(10): 1245-1252.
|
|
[23]
|
J. Z. Chen, M. Y. Yang, C. H. Yi, et al. Molecular dynamics simulation and free energy calculations of symmetric fluoro- substituted diol-based HIV-1 protease inhibitors. Journal of Molecular Structure: THEOCHEM, 2009, 899(1-3): 1-8.
|
|
[24]
|
C. H. Yi, J. Z. Chen, S. H. Shi, et al. A computational analysis of pyrazole-based inhibitors binding to Hsp90 using molecular dynamics simulation and the MM-GBSA method. Molecular Simulation, 2010, 36(6): 454-460.
|
|
[25]
|
D. A. Case, T. A. Darden, T. E. Cheatham III, et al. AMBER 12. University of California, San Francisco, 2012.
|
|
[26]
|
Y. Duan, C. Wu, S. Chowdhury, et al. A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. Journal of Computational Chemistry, 2003, 24(16): 1999-2012.
|
|
[27]
|
T. G. Coleman, H. C. Mesick and R. L. Darby. Numerical integration. Annals of Biomedical Engineering, 1977, 5(4): 322- 328.
|
|
[28]
|
W. Cheng, J. Chen, Z. Liang, et al. A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation. Compu- tational and Theoretical Chemistry, 2012, 984: 43-50.
|
|
[29]
|
程伟渊, 梁志强, 张庆刚等. p53-MDM2相互作用的分子力学和动力学研究[J]. 原子与分子物理学报, 2012, 29(3): 393- 399.
|
|
[30]
|
Y. Ding, Y. Mei and J. Z. H. Zhang. Quantum mechanical studies of residue-specific hydrophobic interactions in p53-MDM2 binding. The Journal of Physical Chemistry B, 2008, 112(36): 11396- 11401.
|