Theoretical evaluation of the nanocarrier properties of two families of functionalized dendrimers

International Journal of Quantum Chemistry

Volumn 103, Issue 4, 2005, Pages 460-470

  Evangelista Lara, Aurelio ^a   Guadarrama, Patricia ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Dendrimers; Density functional theory; Molecular dynamics; Molecular mechanics; Nanocarriers

Indexed keywords

ALGORITHMS; DRUG PRODUCTS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SOLUBILITY;

ANALGESIC DRUGS; MOLECULAR MECHANICS; MOLECULAR SHAPES; NANOCARRIERS;

DENDRIMERS;

EID: 19944405172     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20517     Document Type: Article

References (23)

1. Maciejewski, M. J Macromol Sci Chem 1982, 17A, 689.
2. Lescanec, R. L.; Muthukumar, M. Macromolecules 1990, 23, 2280.
3. Welch, P.; Muthukumar, M. Macromolecules 1998, 31, 5892.
4. Naylor, A. M.; Goddard, W. A.; Kiefer, G. E.; Tomalia, D. A. J Am Chem Soc 1989, 111, 2339.
5. (a) Langer, R. Chem Eng Sci 1995, 50, 4109;
6. (b) Duncan, R.; Kopecek, J. Adv Polym Sci 1984, 57, 51.
7. Santo, M.; Fox, M. A. J Phys Org Chem 1999, 12, 293.
8. Kolhe, P.; Misra, E.; Kannan, R. M.; Kannan, S.; Lieh-Lai, M. Int J Pharm 2003, 259, 143.
9. Chem3D Ultra version 7.0 2002; CambridgeSoft Corporation, 1986-2002.
10. Dudek, M. J.; Ponder, J. W. J Comput Chem 1995, 16, 791.
11. Beeman, D. J Comput Phys 1976, 20, 130.
12. Burkert, U.; Allinger, N. L. Molecular Mechanics; ACS Monograph No. 177; American Chemical Society: Washington, DC, 1982.
13. (a) Connolly, M. L. J Appl Crystallogr 1983, 16, 548;
14. (b) Connolly, M. L. Science 1983, 221, 709.
15. Connolly, M. L. J Am Chem Soc 1985, 107, 1118.
16. Müller-Dethlefs, K.; Hobza, P. Chem Rev 2000, 100, 143.
17. Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J Am Chem Soc 1996, 118, 11225.
18. Kolossváry, I.; Guida, W. C. J Am Chem Soc 1996, 118, 5011.
19. (a) Chang, G.; Guida, W. C.; Still, W. C. J Am Chem Soc 1989, 111, 4379;
20. (b) Saunders, M.; Houk, K. N.; Wu, Y. D.; Still, W. C.; Lipton, M.; Chang, G.; Guida, W. C. J Am Chem Soc 1990, 112, 1419.
21. Jaguar5.0; Schrödinger; LLC: Portland, OR, 2000.
22. Hay, P. J.; Wadt, W. R. J Chem Phys 1985, 82, 299.
23. Pavlov, M. Y.; Fedorov, B. A. Biopolymers 22, 1983, 1507.