Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivative

Bioorganic and Medicinal Chemistry Letters

Volumn 16, Issue 16, 2006, Pages 4366-4370

  Popov, Veljko M ^a   Chan, David C M ^a   Fillingham, Yale A ^a   Atom Yee, W ^a   Wright, Dennis L ^b   Anderson, Amy C ^b  

^a Lamont Doherty Earth Observatory   (United States)

^b UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

Cryptosporidium hominis; Diaminopyrimidine; Dihydrofolate reductase; Docking

Indexed keywords

ANTIPROTOZOAL AGENT; DIHYDROFOLATE REDUCTASE; LIGAND; PYRIMETHAMINE; TRIMETHOPRIM; TRIMETHOPRIM DERIVATIVE;

ACCURACY; ARTICLE; COMPUTER MODEL; CRYPTOSPORIDIUM; CRYPTOSPORIDIUM HOMINIS; DRUG ACTIVITY; DRUG DESIGN; DRUG POTENCY; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME ANALYSIS; ENZYME SUBSTRATE COMPLEX; IC 50; LIGAND BINDING; SPECIES DIFFERENCE; STRUCTURE ACTIVITY RELATION;

ANIMALS; BINDING SITES; CHEMISTRY, PHARMACEUTICAL; CRYPTOSPORIDIUM; DRUG DESIGN; INHIBITORY CONCENTRATION 50; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN BINDING; TETRAHYDROFOLATE DEHYDROGENASE; TRIMETHOPRIM;

CRYPTOSPORIDIUM HOMINIS;

EID: 33745713221     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2006.05.047     Document Type: Article

References (15)

1. Anderson A. Drug Discovery Today 10 (2005) 121
2. Nelson R., and Rosowsky A. Antimicrob. Agents Chemother. 45 (2001) 3293
3. O'Neil R., Lilien R., Donald B., Stroud R., and Anderson A. J. Biol. Chem. 278 (2003) 52980
4. Rosowsky A., Cody V., Galitsky N., Fu H., Papoulis A., and Queener S. J. Med. Chem. 42 (1999) 4853
5. Anderson A. Acta Crystallogr., Sect. F F61 (2005) 258
6. Yuvaniyama J., Chitnumsub P., Kamchonwongpaisan S., Vanichtanankul J., Sirawaraporn W., Taylor P., Walkinshaw M., and Yuthavong Y. Nat. Struct. Biol. 10 (2003) 357
7. Sirichaiwat C., Intaraudom C., Kamchonwongpaisan S., Vanichtanankul J., Thebtaranonth Y., and Yuthavong Y. J. Med. Chem. 47 (2004) 345
8. Champness J., Achari A., Ballantine S., Bryant P., Delves C., and Stammers D. Structure 2 (1994) 915
9. Cody V., Galitsky N., Luft J., Pangborn W., Rosowsky A., and Queener S. Acta Crystallogr., Sect. D D58 (2002) 946
10. McMartin C., and Bohacek R. J. Comput. Aided Mol. Des. 11 (1997) 333
11. 50 using the formula obtained from the multivariable linear regression line equation.
12. Brossi A., Grunberg E., Hoffer M., and Teitel S. J. Med. Chem. 14 (1971) 58
13. Hess S., Dolker M., Haferburg D., Kertscher H., Matysik F., Ortwein J., Teubert U., Zimmermann W., and Eger K. Pharmazie 56 (2001) 306
14. Nordholm L., and Dalgaard L. Arch. Pharmacy. Org. Chem. Sci. Ed. 11 (1983) 1
15. Gangjee A., Lin X., and Queener S.E. J. Heterocycl. Chem. 40 (2003) 507