Novel inhibitors of Leishmanial dihydrofolate reductase.

Chowdhury SF, Di Lucrezia R, Hurtado Guerrero R, Brun R, Goodman J, Ruiz-Perez LM, Pacanowska DG, Gilbert IH.. Novel inhibitors of Leishmanial dihydrofolate reductase.. Bioorg Med Chem Lett. . 2001, Vol. 11(8), p. 977-2001.

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.