Physical properties of active site of tubulin-binding as anticancer nanotechnology investigation

International Journal of Physical Sciences

Volumn 5, Issue 10, 2010, Pages 1609-1621

  Monajjemi, M ^a   Saedi, L ^a   Najafi, F ^a   Mollaamin, F ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

DFT; Langevin dynamic; Molecular dynamic; Monte carlo; NMR; Vinblastine

Indexed keywords

EID: 78549258821     PISSN: 19921950     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (32)

1. Allan MP, Tildesley DJ (1987). Computer Simulations of Liquids.
2. Berendsen WF (1990). H.J.C. Computer simulation of molecular dynamics methodology, applications, and perspectives in chemistry Angewandte Chemie, International Edition in English, 29: 992-1023.
3. Correia J, Lobert S (2001). Physiochemical aspects of tubulin-interacting antimitotic drugs, Current Pharmaceutical Design, 7: 1213-1228.
4. Desai A, Mitchison J (1997). A swith in microtubule dynamics at the onset of anaphase B in the mitotic spindle of Schizosaccharomyces pombe, Annu. Rev. Cell Dev. Biol., 13: 83-117.
5. Haeri HH, Hashemianzadeh SM, Monajjemi M (2009). Temperature effects on the stochastic gating of the ip3r calcium release channel:a numerical simulation study, J. Biol. Syst., 17: 817-852.
6. Haile JM (1991). Molecular Dynamics Simulation, John Wiley & Sons, pp. 260-267
7. Heffington Bunt A (1973). Investigative ophthalmology, 12:579-590.
8. Jorgensen WL (1988). Biological Reactions Are Slow in Absence of a Catalyst, Adv. Chem. Phys., 70: 469.
9. Karplus M, Petsko GA (1990). Molecular dynamics simulations in biology Nature, 347: 631-639.
10. Leach AR (1996). Molecular Modeling. Principles and Applications, Longman. Frenkel D, Smith B (2002). Understanding Molecular Simulations.
11. Lee C, Harrison D, Timasheff N (1975). Intraction of vinblastine with calf brain microtubule protein, Biological Chemistry.,250: 9276-9282.
12. Lobert S, Correia JJ (2000). Energetics of Vinca Alkaloid Interactions with Tubulin. Methods Enzymol., 323: 77-103.
13. Lobert S, Fahy J, Hill T, Duflos A, Etievant C, Correia J (2000). Vinca Alkaloid-Induced Tubulin Spiral Formation Correlates with Cytotoxicity in the Leukemic L1210 Cell Line. Biochemistry, 39: 12053-12062.
14. Lobert S, Ingram JW, Bridget T, Hill J, Correia J, (1998). A comparison of thermodynamic parameters for vinorelbine- and vinflunine-induced tubulin self-association by sedimentation velocity. Molecular Pharmacology, 53: 908-915.
15. Lobert S, Ingram JW, Correia JJ, (1999). Additivity of Dilantin and Vinblastine Inhibitory Effects on Microtubule Assembly, Cancer Res., 59: 4816-4822.
16. Lobert S, Ingram JW, Correia JJ, (2007). The thermodynamics of vinca alkaloid-induced tubulin spiral formation, Biophysical Chemistry, 126: 50-58.
17. Lobert S, Vulevic B, Correia J, (1996). Energetics of Vinca Alkaloid Interactions with Tubulin. Interaction of vinca alkaloids with tubulin: A comparison of vinblastine, vicristine, and vinorelbine, Biochemistry, 35: 6806-6814.
18. Mahdavian L, Monajjemi M,(2010). Alcohol sensors based on SWNT as chemical sensors: Monte Carlo and Langevin dynamics simulation Microelectronics J., 4: 1142-1149.
19. Metropolis NA, Rosenbluth AW, Teller AH, Teller E,(1953). Equation of state calculations by fast computing machines, J. Chem. Phys., 21: 10-87.
20. Monajjemi M, Afsharnezhad S, Jaafari MR, Mirdamadi S, Mollaamin F, Monajem H, (2008). Investigation of energy and NMR isotropic shift on the internal rotation Barrier of? 4 dihedral angle of the DLPC: A GIAO study, Chemistry, 17: 55-69.
21. Monajjemi M, Chahkandi B (2004). Study of the hydrogen bond in different orientations of adenine-thymine base pairs: an ab initio study, J. Mol. Struct. (THEOCHEM), 714: 43.
22. Monajjemi M, Heshmat M, Aghaei H, Ahmadi R, Zare K (2007). Solvent effect on 14N NMR shielding of glycine, serine, leucine, and threonine: comparison between chemical shifts and energy versus dielectric constant, Bull. Chem. Soc. Ethiopia, 21: 111-116.
23. Monajjemi M, Honarparvar B, Nasseri SM, Khaleghian M (2009). Nqr and nmr study of hydrogen bonding interactions in anhydrous and monohydrated guanine cluster model: A computational study, J. Struct. Chem., 50: 67-77.
24. Monajjemi M, Ketabi S, Hashemian MZ, Amiri A, (2006). Simulation of DNA Bases in Water:Comparison of the Monte Carlo Algorithm with Molecular Mechanics Force Fields, Biochemistry (Moscow), 71: 1.
25. Monajjemi M, Mahdavian L, Mollaamin F (2008). Characterization of nanocrystalline cylicon germanium film and nanotube in adsoption gas by monte carlo and langevin dynamic simulation. Bull. Chem. Soc. Ethiop., 22: 1-10.
26. Monajjemi M, Rajaeian E, Mollamin F, Naderi F, Saki S (2008). Investigation of NMR shielding tensors in 1,3 dipolar cycloadditions:solvents dielectric effect, Phys. Chem. Liquids, 46: 299-306.
27. Monajjemi M, Razavianb MH, Mollaamina F, Naderi F, Honarparvara B (2008). A Theoretical thermochemical study of solute-solvent dielectric effects in the displacement of codon-anticodon base pairs, Russian J. Phys. Chem. A., 82: 113-121.
28. Rai S, Wolff J (1996). Localization of the Vinblastine-binding Site on?-Tubulin, Biol. Chem., 271: 14707-14711.
29. Tannor DJ, Marten B, Murphy R, Friesner RA, Sitkoff D, Nicholls A, Ring M, Nalda W, God-dard A, Honig B (1994). Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectic Theory. J. Am. Chem. Soc., 116: 11875-11882.
30. Tomasi J, Persico M (1994). Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent, Chem. Rev., 94: 2027-2094.
31. van Gunsteren WF, Berendsen HJC (1990). Computer simulation of molecular dynamics: methodology, applications and perspectives in Chemistry. Ang. Chem. Int. Ed., 29: 992.
32. VanBuren V, Cassimeris L, Odde J (2005). A mechanochemical model for microtubule structure and self-assembly kinetics. Biophysical J. 89: 2911-2926.