title: Novel inhibitors of Leishmanial dihydrofolate reductase.
abstract: The program DOCK3.5 was used to search the Cambridge Structural Database for novel inhibitors of Leishmanial dihydrofolate reductase. A number of compounds were obtained and screened against the enzyme and against the intact parasite Leishmania donovani and the related organisms Trypanosoma brucei and Trypanosoma cruzi. The compounds screened showed weak activity in both the enzyme assays and the in vitro assays.
authors.affiliation: Welsh School of Pharmacy, Cardiff University, UK.
authors.forename: S F
authors.initials: SF
authors.lastname: Chowdhury
authors.forename: R
authors.initials: R
authors.lastname: Di Lucrezia
authors.forename: R H
authors.initials: RH
authors.lastname: Guerrero
authors.forename: R
authors.initials: R
authors.lastname: Brun
authors.forename: J
authors.initials: J
authors.lastname: Goodman
authors.forename: L M
authors.initials: LM
authors.lastname: Ruiz-Perez
authors.forename: D G
authors.initials: DG
authors.lastname: Pacanowska
authors.forename: I H
authors.initials: IH
authors.lastname: Gilbert
mesh_terms: D000818:Animals; D018360:Crystallography, X-Ray; D019992:Databases as Topic; D004353:Drug Evaluation, Preclinical; D004791:Enzyme Inhibitors / Q000494:pharmacology; D006801:Humans; D020128:Inhibitory Concentration 50; D007893:Leishmania donovani / Q000187:drug effects* / Q000201:enzymology; D051379:Mice; D015394:Molecular Structure; D010069:Oxadiazoles / Q000494:pharmacology*; D010271:Parasites / Q000187:drug effects; D011743:Pyrimidines / Q000494:pharmacology*; D051381:Rats; D011994:Recombinant Proteins; D013762:Tetrahydrofolate Dehydrogenase / Q000187:drug effects*; D014344:Trypanocidal Agents / Q000494:pharmacology*; D014346:Trypanosoma brucei brucei / Q000187:drug effects*; D014349:Trypanosoma cruzi / Q000187:drug effects*
chemical_list: D004791:Enzyme Inhibitors; D010069:Oxadiazoles; D011743:Pyrimidines; D011994:Recombinant Proteins; D014344:Trypanocidal Agents; D013762:Tetrahydrofolate Dehydrogenase