Modelling of DNA complexes with distamycin analogues using AN ab initio continuum solvent model

Collection of Czechoslovak Chemical Communications

Volumn 65, Issue 5, 2000, Pages 631-643

  Bouř, Petr ^a,b   Král, Vladimír ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

Ab initio calculations; Amides; COSMO; DFT; Distamycin; DNA; Minor groove; Solvation

Indexed keywords

EID: 84962409324     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20000631     Document Type: Article

References (29)

1. Szewczyk J. W., Baird E. E., Dervan P. B.: J. Am. Chem. Soc. 1996, 118, 6778.
2. Trauger J. W., Baird E. E., Dervan P. D.: Angew. Chem., Int. Ed. Engl. 1998, 37, 1421.
3. Neidle S., Waring M. J.: Molecular Aspects of Anticancer Drug-DNA Interactions. Macmillan Press, London 1993.
4. Neidle S.: Biopolymers 1998, 44, 105.
5. Fauvet M. P., Gresh N.: J. Biomol. Struct. Dyn. 1994, 11, 1203.
6. Swalley S. E., Baird E. E., Dervan P. B.: Chem. Eur. J. 1997, 3, 1600.
7. Sapse A. M., Jain D. C., Lown J. W.: J. Biomol. Struct. Dyn. 1997, 14, 475.
8. Šponer J., Burcl R., Hobza P.: J. Biomol. Struct. Dyn. 1994, 11, 1357.
9. Hobza P., Kabeláč M., Šponer J., Mejzlík P., Vondrášek J.: J. Comput. Chem. 1997, 18, 1136.
10. Hobza P., Šponer J.: Chem. Rev. (Washington, D. C.) 1999, 99, 3247.
11. Hobza P., Šponer J., Polášek M.: J. Am. Chem. Soc. 1995, 117, 792.
12. Florián J., Leszczynski J.: J. Am. Chem. Soc. 1996, 118, 3010.
13. Zhanpeisov N., Leszczynski J.: J. Phys. Chem. B 1998, 102, 9109.
14. Zhanpeisov N., Leszczynski J.: J. Phys. Chem. A 1998, 102, 6167.
15. Klamt A., Schürmann G.: J. Chem. Soc., Perkin Trans. 2 1993, 2, 799.
16. Miertus S., Scrocco E., Tomasi I.: J. Chem. Phys. 1981, 55, 117.
17. Klamt A.: J. Phys. Chem. 1995, 99, 2224.
18. Amovilli C., Barone V., Cammi R., Cances E., Cossi M., Mennucci B., Pomelli C. S., Tomasi J.: Adv. Quantum Chem. 1999, 32, 227.
19. Swalley S. E., Baird E. E., Dervan P. B.: J. Am. Chem. Soc. 1996, 118, 8198.
20. Lown J. W.: anti-Cancer Drug Des. 1988, 3, 25.
21. Chatterjee S. R., Srivastava T. S., Kamat J. P., Devasagayam T. P.: Chem.-Biol. Interact. 1997, 108, 27.
22. Frisch M. J., Trucks G. W., Schlegel H. B., Gill P. M. W., Johnson B. G., Robb M. A., Cheeseman J. R., Keith T., Petersson G. A., Montgomery J. A., Raghavachari K., Al-Laham M. A., Zakrzewski V. G., Ortiz J. V., Foresman J. B., Cioslowski J., Stefanov B. B., Nanayakkara A., Challacombe M., Peng C. Y., Ayala P. Y., Chen W., Wong M. W., Andres J. L., Replogle E. S., Gomperts R., Martin R. L., Fox D. J., Binkley J. S., Defrees D. J., Baker J., Stewart J. P., Head-Gordon M., Gonzalez C., Pople J. A.: Gaussian 98, Revision A.3. Gaussian, Inc., Pittsburgh (PA), 1999.
23. Becke A. D.: Phys. Rev. A: At., Mol., Opt. Phys. 1988, 38, 3098.
24. Perdew J. P., Wang Y.: Phys. Rev. B: Condens. Mater. 1992, 45, 13244.
25. Klamnt A. in: The Encyclopedia of Computatinal Chemistry (P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. III. Schaefer and P. R. Schreiner, Eds), p. 604. John Wiley & Sons, Chichester 1998.
26. Chalasinski G., Szczesniak M. M.: Chem. Rev. (Washington, D. C.) 1994, 94, 1723.
27. Dunnnig T. H., Peterson T. A., Woon D. E. in: The Encyclopedia of Computatinal Chemistry (P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. III. Schaefer and P. R. Schreiner, Eds), p. 88. John Wiley & Sons, Chichester 1998.
28. Bukowski R., Jeziorski B., Szalewicz K.: J. Chem. Phys. 1996, 104, 3306.
29. Rodger A., Meistermann I., Snaders K., Hannon M.: 7th International Conference on CD, Mierki, Poland, 1999; Book of Abstracts, p. 34. A. Mickiewicz University, Poznań 1999.