Hydrophobic Fields in Quantitative Structure-Activity Relationships

Lipophilicity in Drug Action and Toxicology

Volumn 4, Issue , 2008, Pages 219-232

  Folkers, Gerd ^a   Merz, Alfred ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Biopolymers; Deoxyribonucleic acid; Molecular lipophilic potential; Nuclear magnetic resonance; Ribonucleic acid

Indexed keywords

BIOPOLYMERS; DNA; NUCLEAR MAGNETIC RESONANCE; NUCLEIC ACIDS; RNA;

MOLECULAR LIPOPHILIC POTENTIAL; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

MOLECULAR GRAPHICS;

EID: 84958626604     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527614998.ch13     Document Type: Chapter

References (32)

1. Fedor, M. J., Nature Structural Biology, 1, 267-269 (1994)
2. Kim, J. L., Nikolov, D. B., and Burley, S. K., Nature 365, 520-527 (1993)
3. Kim, Y., Geiger, J. H., Hahn, S., and Sigler, P. B., Nature 365, 512-520 (1993)
4. Majerfeld, I., and Yarus, M., Nature Structural Biology 1, 287-292 (1994)
5. Abraham, D. J., and Kellogg, G. E., Hydrophobic Fields. In: 3D-QSAR in Drug Design. Kubinyi, H. (Ed.). Escom: Leiden 506-522 (1993)
6. Williams, D. E., and Stouch, T. R., J. Comp. Chem. 14, 1066-1076 (1993)
7. Herbette, L. A structural model for drug interactions with biological membranes: Hydrophobicity, hydrophilicity and amphiphilicity in drug structures. In: Trends in QSAR and Molecular Modelling 92. Wermuth, C. G. (Ed.). Escom: Leiden 76-85 (1993)
8. Israelachvili, J., Intermolecular and Surface Forces, 2nd ed. Academic Press, London, 1994
9. Blokzijl, W., and Engberts, J. B. F. N., Angew. Chem. 105, 1610-1648 (1993)
10. Kubinyi, H., QSAR: Hansch Analysis and Related Approaches. VCH: Weinheim, 1993
11. Rekker, R. F., The Hydrophobic Fragmental Constant. Elsevier: Amsterdam, 1977
12. Hansch, C., and Leo, A. J., Substituent Constants for Correlation Analysis in Chemistry and Biology. Wiley: New York, 1979
13. Lee, B., and Richards, F. M., J. Mol. Biol. 55, 379-400 (1971)
14. Ghose, A. K., and Crippen, G. M., J. Comput. Chem. 7, 565-577 (1986)
15. Goodford, P. J., J. Med. Chem. 28, 849-857 (1985)
16. Zimmermann, N., Rötzschke, O., Falk, K., Rognan, D., Folkers, G., Rammensee, H. G., and Jung, G., Angew. Chem. 104, 929-931 (1992)
17. Mason, K. A., Katz, A. H., and Shen, C. F., Grid-assisted similarity perception (GRASP): a new method of overlapping molecular structures. In : Trends in QSAR and Molecular Modelling 92. Wermuth, C. G. (Ed.). Escom: Leiden 394-395 (1993)
18. Rognan, D., Scapozza, L., Folkers, G. and Daser, A., Proc. Natl. Acad. Sci. USA 92, 753-757 (1995)
19. Folkers, G., Trumpp-Kallmeyer, S., Gutbrod, O., Krickl, S. Fetzer, J. and Keil, G., J. Comput.-Aided Mol. Design 5, 382-404 (1991)
20. Audry, E., Dubost, J. P., Colleter J. C., and Dallet, Ph., Eur. J. Med. Chem. 21, 71-72 (1984)
21. Dubost, J. P., 2D and 3D lipophilicity parameters in QSAR. In: Trends in QSAR and Molecular Modelling 92. Wermuth, C. G. (Ed.). Escom: Leiden; 93-100 (1993)
22. Broto, P., Moreau, G., and Vandycke, C., Eur. J. Med. Chem. 19, 66-70 (1984)
23. Abraham, D. J., and Leo, A. J., Proteins 2, 130-152 (1987)
24. Welch, W., Ahmad, S., Airey, J. A., Gerzon, K., Humerickhouse, R. A., Besch, H. R., Ruest, L., Deslongchamps, P., and Sutko, J. L., Biochemistry 33, 6074-6085 (1994)
25. Cramer, R. D. III, Patterson, D. E., and Bunce, J. D., J. Am. Chem. Soc. 110, 5959-5967 (1988)
26. Schubert-Wright, Ch., and Jaeger, J., J. Mol. Biol. 232, 620-638 (1993)
27. Vedani, A., Zbinden, P., Snyder, J. P., and Greenidge, P., J. Am. Chem. Soc. 117, 4987-4994 (1995)
28. Furet, P., Sele, A., and Cohen, N. C., J. Mol. Graphics 6, 182-189 (1988)
29. Greenidge, P. A., Merz, A., and Folkers, G., J. Comput.-Aided Mol. Design (in press)
30. Folkers, G., Merz, A., and Rognan, D., CoMFA as a tool for active site modelling. In: Trends in QSAR and Molecular Modelling 92. Wermuth, C. G. (Ed.). Escom: Leiden 233-244 (1993)
31. Fetzer, J., Michael, M., Bohner, M., Hofbauer, R., and Folkers, G., Prot. Expr. Purification 5, 432-441 (1994)
32. Wild, K., Bohner, T., Aubry, A., Folkers, G., and Schulz, G. E., FEBS Lett. 368, 289-292 (1995)