Collect. Czech. Chem. Commun. 2000, 65, 631-643
https://doi.org/10.1135/cccc20000631

Modelling of DNA Complexes with Distamycin Analogues Using an ab initio Continuum Solvent Model

Petr Bouřa,b,* and Vladimír Králb

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 166 10 Prague 6, Czech Republic
b Department of Analytical Chemistry, Prague Institute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic

References

1. Szewczyk J. W., Baird E. E., Dervan P. B.: J. Am. Chem. Soc. 1996, 118, 6778. <https://doi.org/10.1021/ja960831y>
2. Trauger J. W., Baird E. E., Dervan P. D.: Angew. Chem., Int. Ed. Engl. 1998, 37, 1421. <https://doi.org/10.1002/(SICI)1521-3773(19980605)37:10<1421::AID-ANIE1421>3.0.CO;2-8>
3. Neidle S., Waring M. J.: Molecular Aspects of Anticancer Drug–DNA Interactions. Macmillan Press, London 1993.
5. Fauvet M. P., Gresh N.: J. Biomol. Struct. Dyn. 1994, 11, 1203. <https://doi.org/10.1080/07391102.1994.10508064>
6. Swalley S. E., Baird E. E., Dervan P. B.: Chem. Eur. J. 1997, 3, 1600. <https://doi.org/10.1002/chem.19970031009>
7. Sapse A. M., Jain D. C., Lown J. W.: J. Biomol. Struct. Dyn. 1997, 14, 475. <https://doi.org/10.1080/07391102.1997.10508146>
8. Šponer J., Burcl R., Hobza P.: J. Biomol. Struct. Dyn. 1994, 11, 1357. <https://doi.org/10.1080/07391102.1994.10508073>
9. Hobza P., Kabeláč M., Šponer J., Mejzlík P., Vondrášek J.: J. Comput. Chem. 1997, 18, 1136. <https://doi.org/10.1002/(SICI)1096-987X(19970715)18:9<1136::AID-JCC3>3.0.CO;2-S>
10. Hobza P., Šponer J.: Chem. Rev. (Washington, D. C.) 1999, 99, 3247. <https://doi.org/10.1021/cr9800255>
11. Hobza P., Šponer J., Polášek M.: J. Am. Chem. Soc. 1995, 117, 792. <https://doi.org/10.1021/ja00107a023>
12. Florián J., Leszczynski J.: J. Am. Chem. Soc. 1996, 118, 3010. <https://doi.org/10.1021/ja951983g>
13. Zhanpeisov N., Leszczynski J.: J. Phys. Chem. B 1998, 102, 9109. <https://doi.org/10.1021/jp9817271>
14. Zhanpeisov N., Leszczynski J.: J. Phys. Chem. A 1998, 102, 6167. <https://doi.org/10.1021/jp9806260>
15. Klamt A., Schürmann G.: J. Chem. Soc., Perkin Trans. 2 1993, 2, 799. <https://doi.org/10.1039/p29930000799>
16. Miertus S., Scrocco E., Tomasi I.: J. Chem. Phys. 1981, 55, 117.
17. Klamt A.: J. Phys. Chem. 1995, 99, 2224. <https://doi.org/10.1021/j100007a062>
18. Amovilli C., Barone V., Cammi R., Cances E., Cossi M., Mennucci B., Pomelli C. S., Tomasi J.: Adv. Quantum Chem. 1999, 32, 227. <https://doi.org/10.1016/S0065-3276(08)60416-5>
19. Swalley S. E., Baird E. E., Dervan P. B.: J. Am. Chem. Soc. 1996, 118, 8198. <https://doi.org/10.1021/ja9611598>
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. <https://doi.org/10.1016/S0009-2797(97)00092-6>
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. <https://doi.org/10.1103/PhysRevA.38.3098>
24. Perdew J. P., Wang Y.: Phys. Rev. B: Condens. Mater. 1992, 45, 13244. <https://doi.org/10.1103/PhysRevB.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. <https://doi.org/10.1021/cr00031a001>
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. <https://doi.org/10.1063/1.471093>
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.