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.
MeSH terms
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Animals
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Crystallography, X-Ray
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Databases as Topic
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Drug Evaluation, Preclinical
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Enzyme Inhibitors / pharmacology
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Humans
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Inhibitory Concentration 50
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Leishmania donovani / drug effects*
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Leishmania donovani / enzymology
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Mice
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Molecular Structure
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Oxadiazoles / pharmacology*
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Parasites / drug effects
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Pyrimidines / pharmacology*
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Rats
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Recombinant Proteins
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Tetrahydrofolate Dehydrogenase / drug effects*
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Trypanocidal Agents / pharmacology*
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Trypanosoma brucei brucei / drug effects*
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Trypanosoma cruzi / drug effects*
Substances
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Enzyme Inhibitors
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Oxadiazoles
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Pyrimidines
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Recombinant Proteins
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Trypanocidal Agents
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Tetrahydrofolate Dehydrogenase