New active drugs against liver stages of Plasmodium predicted by molecular topology

Antimicrobial Agents and Chemotherapy

Volumn 52, Issue 4, 2008, Pages 1215-1220

  Mahmoudi, Nassira ^a,b   Garcia Domenech, Ramon ^c   Galvez, Jorge ^c   Farhati, Khemais ^a,b   Franetich, Jean François ^a,b   Sauerwein, Robert ^d   Hannoun, Laurent ^e   Derouin, Francis ^f   Danis, Martin ^a,b,e   Mazier, Dominique ^a,b,e  

^a SORBONNE UNIVERSITÉ   (France)

^b INSERM   (France)

^c UNIVERSITY OF VALENCIA   (Spain)

^d RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^e PITIÉ SALPÊTRIÈRE HOSPITAL   (France)

^f SAINT LOUIS HOSPITAL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALOID DERIVATIVE; AMINOQUINOLINE DERIVATIVE; ANTIARRHYTHMIC AGENT; ANTIFUNGAL AGENT; ANTIINFECTIVE AGENT; ANTINEOPLASTIC AGENT; ANTIPROTOZOAL AGENT; ANTIRETROVIRUS AGENT; ANTIVIRUS AGENT; ATOVAQUONE; CARDIOTONIC AGENT; DIHYDROFOLATE REDUCTASE INHIBITOR; DOBUTAMINE; FENBENDAZOLE; INDINAVIR; IRON CHELATING AGENT; LICOCHALCONE A; MACROLIDE; MIBEFRADIL; MICONAZOLE; MONENSIN; NIGERICIN; NORDIHYDROGUAIARETIC ACID; PENICILLIN G; PRIMAQUINE; QUINOLONE DERIVATIVE; RITONAVIR; SAQUINAVIR; UNINDEXED DRUG; VINBLASTINE;

ANALYTIC METHOD; ANIMAL CELL; ANTIMALARIAL ACTIVITY; ARTICLE; CHEMICAL STRUCTURE; CONCENTRATION RESPONSE; CONTROLLED STUDY; DATA BASE; DISCRIMINANT ANALYSIS; HUMAN; HUMAN CELL; IN VITRO STUDY; LIVER CELL CULTURE; MATHEMATICAL MODEL; MOUSE; NITROBLUE TETRAZOLIUM TEST; NONHUMAN; PHYSICAL CHEMISTRY; PLASMODIUM FALCIPARUM; PLASMODIUM YOELII; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICITY TESTING;

ANIMALS; ANTIMALARIALS; HEPATOCYTES; HUMANS; LIVER; MICE; MODELS, BIOLOGICAL; PARASITIC SENSITIVITY TESTS; PLASMODIUM YOELII; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 42049098407     PISSN: 00664804     EISSN: None     Source Type: Journal    
DOI: 10.1128/AAC.01043-07     Document Type: Article

References (28)

1. Abraham, M. H., and Y. H. Zhao. 2004. Determination of solvation descriptors for ionic species: hydrogen bond acidity and basicity. J. Org. Chem. 69:4677-4685.
2. Adak, T., N. Valecha, and V. P. Sharma. 2001. Plasmodium vivax polymorphism in a clinical drug trial. Clin. Diagn. Lab. Immunol. 8:891-894.
3. Adovelande, J., and J. Schrevel. 1996. Carboxylic ionophores in malaria chemotherapy: the effects of monensin and nigericin on Plasmodium falciparum in vitro and Plasmodium vinckei petteri in vivo. Life Sci. 59:PL309-PL315.
4. Balaban, A. T. 1983. Topological indices based topological distances in molecular graphs. Pure Appl. Chem. 55:199-206.
5. de Gregorio-Alapont, C., R. García-Domenech, J. Gálvez, M. J. Ros, S. Wolski, and M. D. García. 2000. Molecular topology: a useful tool for the search of new antibacterials. Bioorg. Med. Chem. Lett. 10:2033-2036.
6. de Julian-Ortiz, J. V., J. Galvez, C. Munoz-Collado, R. Garcia-Domenech, and C. Gimeno-Cardona. 1999. Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds. J. Med. Chem. 42:3308-3314.
7. Galvez, J., R. Garcia-Domenech, C. de Gregorio Alapont, J. V. de Julian-Ortiz, and L. Popa. 1996. Pharmacological distribution diagrams: a tool for de novo drug design. J. Mol. Graph. 14:272-276.
8. Galvez, J., R. Garcia-Domenech, J. V. de Julian-Ortiz, and R. Soler. 1995. Topological approach to drug design. J. Chem. Inf. Comput. Sci. 35:272-284.
9. Galvez, J., R. Garcia-Domenech, M. T. Salabert, and R. Soler. 1994. Charge indices. New topological descriptors. J. Chem. Inf. Comput. Sci. 34:520-525.
10. Garcia-Garcia, A., J. Galvez, J. V. de Julian-Ortiz, R. Garcia-Domenech, C. Munoz, R. Guna, and R. Borras. 2004. New agents active against Mycobacterium avium complex selected by molecular topology: a virtual screening method. J. Antimicrob. Chemother. 53:65-73.
11. Gozalbes, R., M. Brun-Pascaud, R. Garcia-Domenech, J. Galvez, P. M. Girard, J. P. Doucet, and F. Derouin. 2000. Anti-Toxoplasma activities of 24 quinolones and fluoroquinolones in vitro: prediction of activity by molecular topology and virtual computational techniques. Antimicrob. Agents Chemother. 44:2771-2776.
12. Gozalbes, R., M. Brun-Pascaud, R. Garcia-Domenech, J. Galvez, P. M. Girard, J. P. Doucet, and F. Derouin. 2000. Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening. Antimicrob. Agents Chemother. 44:2764-2770.
13. Kier, L. B., and L. H. Hall. 1983. General definition of valence delta-values for molecular connectivity. J. Pharm. Sci. 72:1170-1173.
14. Kier, L. B., and L. H. Hall. 1986. Molecular connectivity in structure-activity analysis. John Wiley & Sons, Letchworth, England.
15. Lahana, R. 1997. Chimie combinatoire virtuelle. Sci. Am. Ed. Française 241:56-58.
16. Leo, G., and G. Wersig. 1971. Specialty-specific marked reports in anamnesis - development and initial experiences. Methods Inf. Med. Suppl. 5:219-229. (In German.)
17. Mahmoudi, N., L. Ciceron, J.-F. Franetich, K. Farhati, O. Silvie, W. Eling, R. Sauerwein, M. Danis, D. Mazier, and F. Derouin. 2003. In vitro activities of 25 quinolones and fluoroquinolones against liver and blood stage Plasmodium spp. Antimicrob. Agents Chemother. 47:2636-2639.
18. Mahmoudi, N., J. V. de Julian-Ortiz, L. Ciceron, J. Galvez, D. Mazier, M. Danis, F. Derouin, and R. Garcia-Domenech. 2006. Identification of new antimalarial drugs by linear discriminant analysis and topological virtual screening. J. Antimicrob. Chemother. 57:489-497.
19. Marrero-Ponce, Y., R. Medina-Marrero, F. Torrens, Y. Martinez, V. Romero-Zaldivar, and E. A. Castro. 2005. Atom, atom-type, and total non-stochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity. Bioorg. Med. Chem. 13:2881-2899.
20. Marussig, M., A. Motard, L. Renia, D. Baccam, J. Lebras, G. Charmot, and D. Mazier. 1993. Activity of doxycycline against preerythrocytic malaria. J. Infect. Dis. 168:1603-1604.
21. Mishra, R. K., R. Garcia-Domenech, and J. Galvez. 2001. Getting discriminant functions of antibacterial activity from physicochemical and topological parameters. J. Chem. Inf. Comput. Sci. 41:387-393.
22. Mosmann, T. 1983. Rapid colorimetric assay for cellular growth and survival: application to proliferation and cytotoxicity assays. J. Immunol. Methods 65:55-63.
23. Shmuklarsky, M. J., E. F. Boudreau, L. W. Pang, J. I. Smith, I. Schneider, L. Fleckenstein, M. M. Abdelrahim, C. J. Canfield, and B. Schuster. 1994. Failure of doxycycline as a causal prophylactic agent against Plasmodium falciparum malaria in healthy nonimmune volunteers. Ann. Intern. Med. 120:294-299.
24. Skinner-Adams, T. S., J. S. McCarthy, D. L. Gardiner, P. M. Hilton, and K. T. Andrews. 2004. Antiretrovirals as antimalarial agents. J. Infect. Dis. 190:1998-2000.
25. Snow, R. W., C. A. Guerra, A. M. Noor, H. Y. Myint, and S. I. Hay. 2005. The global distribution of clinical episodes of Plasmodium falciparum malaria: Nature 434:214-217.
26. Stahel, E., D. Mazier, A. Guillouzo, F. Miltgen, I. Landau, S. Mellouk, R. L. Beaudoin, P. Langlois, and M. Gentilini. 1988. Iron chelators: in vitro inhibitory effect on the liver stage of rodent and human malaria. Am. J. Trop. Med. Hyg. 39:236-240.
27. Walsh, D. S., C. Eamsila, T. Sasiprapha, S. Sangkharomya, P. Khaewsathien, P. Supakalin, D. B. Tang, P. Jarasrumgsichol, C. Cherdchu, M. D. Edstein, K. H. Rieckmann, and T. G. Brewer. 2004. Efficacy of monthly tafenoquine for prophylaxis of Plasmodium vivax and multidrug-resistant P. falciparum malaria. J. Infect. Dis. 190:1456-1463.
28. Ziegler, H. L., H. S. Hansen, D. Staerk, S. B. Christensen, H. Hagerstrand, and J. W. Jaroszewski. 2004. The antiparasitic compound licochalcone a is a potent echinocytogenic agent that modifies the erythrocyte membrane in the concentration range where antiplasmodial activity is observed. Antimicrob. Agents Chemother. 48:4067-4071.