Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
Homology modeling of wild type and pyrimethamine/cycloguanil-cross resistant mutant type Plasmodium falciparum dihydrofolate reductase. A model for antimalarial chemotherapy resistance
Autore:
Santos-Filho, OA; de Alencastro, RB; Figueroa-Villar, JD;
Indirizzi:
Inst Mil Engn, Dept Quim, BR-22290 Rio De Janeiro, Brazil Inst Mil Engn Rio De Janeiro Brazil BR-22290 2290 Rio De Janeiro, Brazil Univ Fed Rio de Janeiro, Ilha Fdn, Inst Quim, Dept Quim Organ,Phys Organ Chem Grp, BR-21949900 Rio De Janeiro, Brazil Univ Fed Rio de Janeiro Rio DeJaneiro Brazil BR-21949900 BCeiro, Brazil
Titolo Testata:
BIOPHYSICAL CHEMISTRY
fascicolo: 3, volume: 91, anno: 2001,
pagine: 305 - 317
SICI:
0301-4622(20010724)91:3<305:HMOWTA>2.0.ZU;2-J
Fonte:
ISI
Lingua:
ENG
Soggetto:
THYMIDYLATE SYNTHASE GENE; CONSISTENT FORCE-FIELD; HYDROGEN-BONDED CRYSTALS; INTER-MOLECULAR FORCES; PROTEIN DATA-BANK; ANTIFOLATE RESISTANCE; ESCHERICHIA-COLI; POINT MUTATIONS; DRUG-RESISTANCE; CARBOXYLIC-ACIDS;
Keywords:
malaria; homology modeling; Plasmodium falciparum; dihydrofolate reductase; chemotherapy; resistance;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Physical, Chemical & Earth Sciences
Citazioni:
64
Recensione:
Indirizzi per estratti:
Indirizzo: Figueroa-Villar, JD Inst Mil Engn, Dept Quim, Praca Gen Tiburcio 80,Praia Vennelha, BR-22290 Rio De Janeiro, Brazil Inst Mil Engn Praca Gen Tiburcio 80,Praia Vennelha Rio De Janeiro Brazil BR-22290
Citazione:
O.A. Santos-Filho et al., "Homology modeling of wild type and pyrimethamine/cycloguanil-cross resistant mutant type Plasmodium falciparum dihydrofolate reductase. A model for antimalarial chemotherapy resistance", BIOPHYS CH, 91(3), 2001, pp. 305-317

Abstract

We propose a low-resolution model for both the wild type and the pyrimethamine (Pyr)/cycloguanil (Cyc) cross- resistant mutant type Plasmodium falciparum DHFR (PfDHFR), based on homology modeling using chicken liver DHFR as a template. The built models contain five alpha -helices. eight beta -sheets, eight tight turns and several loops. The Ramachandran plot for the models shows 95.3 and 100% of the amino acid residues in the favorable regions for the whole enzymes and for the active sites, respectively. Furthermore, we made a preliminary analysis of the complexes Pyr/Cyc-wild DHFR and Pyr/Cyc-mutant DHFR in order to explain the probable mechanism of resistance. Ourresults show that the steric factor may be the main structural cause of P.falciparum resistance toward antifolate drugs. (C) 2001 Published by Elsevier Science B.V.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 22/01/20 alle ore 21:54:41