Structure-based design of parasitic protease inhibitors

Bioorganic and Medicinal Chemistry

Volumn 4, Issue 9, 1996, Pages 1421-1427

  Li, Rongshi ^a   Chen, Xiaowu ^a   Gong, Baoqing ^a   Selzer, Paul M ^a   Li, Zhe ^e   Davidson, Eugene ^c   Kurzban, Gary ^c   Miller, Robert E ^d   Nuzum, Edwin O ^d   McKerrow, James H ^a   Fletterick, Robert J ^a,b   Gillmor, Sarah A ^a,b   Craik, Charles S ^a,b   Kuntz, Irwin D ^a   Cohen, Fred E ^a,b   Kenyon, George L ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c GEORGETOWN UNIVERSITY   (United States)

^d WALTER REED ARMY INSTITUTE OF RESEARCH   (United States)

^e ARQULE INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMALARIAL AGENT; ANTIPARASITIC AGENT; CHLOROQUINE; CRUZIPAIN; CYSTEINE PROTEINASE; FALCIPAIN; PROTEINASE; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

ANTIMALARIAL ACTIVITY; ARTICLE; COMPUTER SIMULATION; DRUG DESIGN; DRUG RESISTANCE; ENZYME INHIBITION; ENZYME STRUCTURE; IN VITRO STUDY; NONHUMAN; PARASITOSIS; PLASMODIUM FALCIPARUM; STRUCTURE ACTIVITY RELATION; TROPHOZOITE; TRYPANOSOMA CRUZI;

EID: 16044363907     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/0968-0896(96)00136-8     Document Type: Article

References (25)

1. Li, R.; Chen, X.; Gong, B.; Dominguez, J. N.; Davidson, E.; Kurzban, G.; Miller, R. E.; Nuzum, E. O.; Rosenthal, P. J.; McKerrow, J. H.; Kenyon, G. L.; Cohen, F. E. J. Med. Chem. 1995, 38, 5031.
2. Li, Z.; Chen, X.; Davidson, E.; Zwang, O,; Mendis, C.; Ring, C. S.; Roush, W. R.; Fegley, G.; Li, R.; Rosenthal, P. J.; Lee, G. K.; Kenyon, G. L.; Kuntz, I. D.; Cohen, F. E. Chem. Biol. 1994, 1, 31.
3. Ring, C. S.; Sun, E.; McKerrow, J. H.; Lee, G.; Rosenthal, P. J.; Kuntz, I. D.; Cohen, F. E. Proc. Natl Acad. Sci. U.S.A. 1993, 90, 3583.
4. von Itzstein, M.; Wu, W.-Y.; Kok, G. B.; Pegg, M. S.; Dyason, J. C.; Jin, B.; Phan, T. V.; Smythe, M. L.; White, H. F.; Oliver, S. W.; Colman, P. M.; Vargheses, J. N.; Ryan, D. M.; Woods, J. M.; Bethell, R. C.; Hotham, V. J.; Cameron, J. M.; Penn, C. R. Nature (London) 1993, 363, 418.
5. Lam, P. Y. S.; Jadhav, P. K.; Eyermann, C. J.; Hodge, C. N.; Ru, Y.; Bacheler, L. T.; Meek, J. L.; Otto, M. J.; Rayner, M. M.; Wong, Y. N.; Chang, C.-H.; Weber, P. C.; Jackson, D. A.; Sharpe, T. R.; Erickson-Viitanen, S. Science 1994, 263, 380.
6. Shoichet, B. K.; Stroud, R. M.; Santi, D. V.; Kuntz, I. D.; Perry, K. M. Science 1993, 259, 1445.
7. Montgomery, J. A.; Niwas, S.; Rose J. D.; Secrist, III, J. A.; Babu, Y. S.; Bugg, C. E.; Erion, M. D.; Guida, W. C.; Ealick, S. E. J. Med. Chem. 1993, 36, 55.
8. Secrist, III, J. A.; Niwas, S.; Rose, J. D.; Babu, Y. S.; Bugg, C. E.; Erion, M. D.; Guida, W. C.; Ealick, S. E.; Montgomery, J. A. J. Med. Chem. 1993, 36, 1847.
9. Erion, M. D.; Niwas, S.; Rose J. D.; Ananthan, S.; Allen, M.; Secrist, III, J. A.; Babu, Y. S.; Bugg, C. E.; Guida, W. C.; Ealick, S. E.; Montgomery, J. A. J. Med. Chem. 1993, 36, 3771.
10. Guida, W. C.; Elliott, R. D.; Thomas, H. J.; Secrist, III, J. A.; Bahu, Y. S.; Bugg, C. E.; Erion, M. D.; Ealick, S. E.; Montgomery, J. A. J. Med. Chem. 1994, 37, 1109.
11. Fesik, S. W. J. Biomol. NMR 1993, 3, 261.
12. McGrath, M. E.; Eakin, A. E.; Engel, J. C.; McKerrow, J. H.; Craik, C. S.; Fletterick, R. J. J. Mol. Biol. 1995, 247, 251.
13. Chen, X.; Li, R.; Gong, B.; Davidson, E.; Dominguez, J. N.; McKerrow, J. H.; Kenyon, G. L.; Cohen, F. E. manuscript in preparation.
14. Stryer, L. Biochemistry; Freeman: New York, 1988.
15. Thomas, L.; Leduc, R.; Thorne, B. A.; Smeekens, S. P.; Steiner, D. F.; Thomas, G. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 5297.
16. Cohen, R. L.; Xi, X. P.; Crowley, C. W.; Lucas, B. K.; Levinson, A. D.; Shuman, M. A. Blood 1991, 72, 479.
17. McKerrow, J. H.; Sun, E.; Rosenthal, P. J.; Bouvier, J. Annu. Rev. Microbiol. 1993, 47, 821.
18. Ring, C. S.; Cohen, F. E. FASEB J. 1993, 7, 783.
19. Gibbons, A. Science 1992, 256, 1135.
20. Walsh, J.A. Ann. N. Y. Acad. Sci. 1989, 569, 1.
21. World Health Organization Malaria Action Program. Trans. R. Trop. Med. Hyg. 1986, 80, 1.
22. Kuntz, I. D. Science 1992, 257, 1078; DOCK V 3.0 was used in all initial phases of this work. The current release is DOCK V 3.5. Contact I.D. Kuntz for distribution information.
23. Meng, E. C.; Gschwend, D. A.; Blaney, J. M.; Kuntz, I. D. Proteins 1993, 17, 266.
24. Clark, D. L.; Chrisey, L. A.; Campbell, F. R.; Davidson, E. A. Molec. Biochem. Parasitol. 1994, 63, 129.
25. Oduola, A. M.; Weatherly, N. F.; Bowdre, J. H.; Desjardins, R. E. In Vitro. Exp. Parasitol. 1988, 66, 86.