Docking substrates to metalloenzymes

Molecular Simulation

Volumn 24, Issue 4-6, 2000, Pages 293-306

  Esposito, Emilio Xavier ^a   Baran, Kelli ^a   Kelly, Ken ^b   Madura, Jeffry D ^a  

^a DUQUESNE UNIVERSITY   (United States)

^b INSTITUTE FOR RESEARCH IN IMMUNOLOGY AND CANCER   (Canada)

Author keywords

Docking substrates; Metalloenzymes

Indexed keywords

EID: 0000024606     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020008022377     Document Type: Article

References (11)

1. Chakravarty, S. and Kanna, K. K. (1994). Refined Structures of Three Sulfonamide Drug Complexes of Human Carbonic Anhydrase I Enzyme. Journal of Molecular Biology, 243, 298.
2. Boriack-Sjodin, P. A., Zeitlin, S., Chen, H.-H., Crenshaw, L., Gross, S., Dantanarayana, A., Delgado, P., May, J. A., Dean, T. and Christianson, D. W. (1998). Structural Analysis of Inhibitor Binding to Human Carbonic Anhydrase II. Protein Science, 7.
3. Nair, S. K., Krebs, J. F., Christianson, D. W. and Fierke, C. A. (1995). Structural Basis of Inhibitor Affinity of Variants of Human Carbonic Anhydrase II. Biochemistry, 34(12), 3981.
4. Baird, T. T. Jr., Waheed, A., Okuyama, T., Sly, W. S. and Fierke, C. A. (1997). Catalysis and Inhibition of Human Carbonic Anhydrase IV. Biochemistry, 36(9), 2669.
5. Boriack, P. A., Christianson, D. W., Kingery-Wood, J. and Whitesides, G. M. (1995). Secondary Interactions Significantly Removed from the Sulfonamide Binding Pocket of Carbonic Anhydrase II Influence Inhibitor Binding Constants. Journal of Medicinal Chemistry, 38(13), 2286.
6. Hageman, G. S., Zhu, X. L., Waheed, A. and Sly, W. S. (1991). Localization of Carbonic Anhydrase IV in a Specific Capillary Bed of the Human Eye. Proceedings of the National Academy of Science USA, 88, 2716.
7. Mann, T. and Keilin, D. (1940). Sulphanilamide as a Specific Inhibitor of Carbonic Anhydrase. Nature, 146, 3692.
8. Spiro, T. G., Ed. (1993). Metal Ions in Biology: Zinc Enzymes. New York: John Wiley & Sons.
9. Pfeiffer and Norbert (1994). The Potenial for Topical Carbonic Anhydrase Inhibitors in Glaucoma Therapy. Current Opinion in Ophthalmology, 5, 11.
10. Goodsell, D. S., Morris, G. M. and Olson, A. J. (1996). Automated Docking of Flexible Ligands: Applications of AutoDock. Journal of Molecular Recognition, 9, 1.
11. Madura, J. D., Nakajima, Y., Hamilton, R. M., Wierzbicki, A. and Warshel, A. (1996). Calculations of the Electrostatic Free Energy Contributions to the Binding Free Energy of Sulfonamides to Carbonic Anhydrase. Structural Chemistry, 7, 2.