The integration of genomic and structural information in the development of high affinity plasmepsin inhibitors

International Journal for Parasitology

Volumn 32, Issue 13, 2002, Pages 1669-1676

  Nezami, Azin ^a   Freire, Ernesto ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

Adaptive inhibitors; Amino acid polymorphisms; Genomics; Malaria; Plasmepsins; Plasmodium; Protease inhibitors

Indexed keywords

ENZYME INHIBITOR; PLASMEPSIN I; PLASMEPSIN II; PLASMEPSIN INHIBITOR; UNCLASSIFIED DRUG;

DRUG DEVELOPMENT; ENZYME; GENOME; MALARIA;

BINDING AFFINITY; CONFERENCE PAPER; DRUG EFFICACY; DRUG RESISTANCE; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENTHALPY; ENTROPY; GENETIC POLYMORPHISM; GENOMICS; MALARIA; MUTATION; NONHUMAN; PLASMODIUM; THERMODYNAMICS;

AMINO ACID SEQUENCE; ANIMALS; ANTIMALARIALS; ASPARTIC ENDOPEPTIDASES; DRUG DESIGN; GENOMICS; HUMANS; MOLECULAR SEQUENCE DATA; PLASMODIUM; PROTEASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP;

PLASMODIUM PARASITES;

EID: 0037021403     PISSN: 00207519     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-7519(02)00196-0     Document Type: Conference Paper

References (25)

1. Banerjee R., Liu J., Beatty W., Pelosof L., Klemba M., Goldberg D.E. Four plasmepsins are active in the Plasmodium falciparum food vacuole, including a protease with an active-site histidine. Proc. Natl. Acad. Sci. USA. 99:2002;990-995.
2. Berry C., Humphreys J., Matharu P., Granger R., Horrocks P., Moon R.P., Certa U., Ridley R.G., Bur D., Kay J. A distinct member of the aspartic proteinase gene family from the human malaria parasite Plasmodium falciparum. FEBS Lett. 447:1999;149-154.
3. Carrol C.D., Patel H., Johnson T.O., Guo T., Orlowski M., He Z.M., Cavallaro C.L., Guo J., Oksman A., Gluzman I.Y., Connelly J., Chelsky D., Goldberg D.E., Dolle R.E. Identification of potent inhibitors of Plasmodium falciparum plasmepsin II from an encoded statine combinatorial library. Bioorg. Med. Chem. Lett. 8:1998;2315-2320.
4. Coombs G.H., Goldberg D.E., Klemba M., Berry C., Kay J., Mottram J.C. Aspartic proteases of Plasmodium falciparum and other parasitic protozoa as drug targets. Trends Parasitol. 17:2001;532-537.
5. Eggleson K.K., Duffin K.L., Goldberg D.E. Identification and characterization of falcilysin, a metallopeptidase involved in hemoglobin catabolism within the malaria parasite Plasmodium falciparum. J. Biol. Chem. 274:1999;32411-32417.
6. Francis S.E., Banerjee R., Goldberg D.E. Biosynthesis and maturation of the malaria aspartic hemoglobinases plasmepsins I and II. J. Biol. Chem. 272:1997;14961-14968.
7. Francis S.E., Sullivan D.J., Goldberg D.E. Hemoglobin metabolism in the malaria parasite Plasmodium falciparum. Annu. Rev. Microbiol. 51:1997;97-123.
8. Freire E. The propagation of binding interactions to remote sites in proteins. Analysis of the binding of the monoclonal antibody D1.3 to lysozyme. Proc. Natl. Acad. Sci. USA. 96:1999;10118-10122.
9. Freire E. Designing drugs against heterogeneous targets. Nat. Biotech. 20:2002;15-16.
10. Goldberg D.E. Hemoglobin degradation in infected red blood cells. Semin. Cell Biol. 4:1993;355-361.
11. Haque T.S., Skillman G., Lee C.E., Habashita H., Gluzman I.Y., Ewing T.J.A., Goldberg D.E., Kuntz I.D., Ellman J.A. Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II. J. Med. Chem. 42:1999;1428-1440.
12. Hilser V.J., Freire E. Structure based calculation of the equilibrium folding pathway of proteins. Correlation with hydrogen exchange protection factors. J. Mol. Biol. 262:1996;756-772.
13. Jiang S., Prigge S.T., Wei L., Gao Y.E., Hudson T.H., Gerena L., Dame J.B., Kyle D.E. New class of small nonpeptidyl compounds blocks Plasmodium falciparum development in vitro by inhibiting plasmepsins. Antimicrob. Agents Chemother. 45:2001;2577-2584.
14. Leavitt S., Freire E. Direct measurement of protein binding energetics by isothermal titration calorimetry. Curr. Opin. Struct. Biol. 11:2001;560-566.
15. Luker K.E., Francis S.E., Gluzman I.Y., Goldberg D.E. Kinetic analysis of plasmepsins I and II, aspartic proteases of the Plasmodium falciparum digestive vacuole. Mol. Biochem. Parasitol. 79:1996;71-78.
16. Luque I., Freire E. The structural stability of binding sites. Consequences for binding affinity and cooperativity. Proteins. 4:2000;63-71.
17. Luque I., Gomez J., Semo N., Freire E. Structure-based thermodynamic design of peptide ligands. Application to peptide inhibitors of the aspartic protease endothiapepsin. Proteins. 30:1998;74-85.
18. Nezami A., Luque I., Kimura T., Kiso Y., Freire E. Identification and characterization of allophenylnorstatine-based inhibitors of plasmepsin II, an anti-malarial target. Biochemistry. 41:2002;2273-2280.
19. Rosenthal P.J., McKerrow J.H., Aikawa M., Nagasawa H., Leech J.H. A malarial cysteine proteinase is necessary for hemoglobin degradation by Plasmodium falciparum. J. Clin. Invest. 82:1988;1560-1566.
20. Silva A.M., Lee A.Y., Gulnik S.V., Majer P., Collins J., Bhat T.N., Collins P.J., Cachau R.E., Luker K.E., Gluzman I.Y., Francis S.E., Oksman A., Goldberg D.E., Erickson J.W. Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum. Proc. Natl. Acad. Sci. USA. 93:1996;10034-10039.
21. Todd M.J., Luque I., Velazquez-Campoy A., Freire E. The thermodynamic basis of resistance to HIV-1 protease inhibition. Calorimetric analysis of the V82F/I84V active site resistant mutant. Biochemistry. 39:2000;11876-11883.
22. Velazquez-Campoy A., Freire E. Incorporating target heterogeneity in drug design. J. Cell. Biochem. S37:2001;82-88.
23. Velazquez-Campoy A., Kiso Y., Freire E. The binding energetics of first and second generation HIV-1 protease inhibitors: implications for drug design. Arch. Biochim. Biophys. 390:2001;169-175.
24. Velazquez-Campoy A., Luque I., Freire E. The application of thermodynamic methods in drug design. Thermochim. Acta. 380:2001;217-227.
25. Wyler D.J. Malaria overview and update. Clin. Infect. Dis. 16:1993;449-458.