Molecular search of new active drugs against Toxoplasma gondii.
Molecular connectivity has been applied to the search of new compounds with activity against the protozoan Toxoplasma gondii, using a stepwise linear discriminant analysis (SLDA) which is able to classify a compound according its activity either as active or as inactive. Among the selected compounds, andrographolide and dibenzotiophene sulfone stand out, both with IC50 values lower than 1 microgram/ml, which are comparable to these of drugs such as sulfamethoxazole, pyrimethamine and trimethoprim, with IC50 values equal to 1.1, 0.04 and 2.31 micrograms/ml, respectively. These results confirm the usefulness of our topological approach for the selection and design of new-lead drugs active against Toxoplasma gondii.
Departamento de Química-Física, Facultad de Farmacia, Universidad de Valencia, Spain.
R
R
Gozalbes
J
J
Gálvez
R
R
García-Domenech
F
F
Derouin
D000818:Animals; D000981:Antiprotozoal Agents / Q000737:chemistry / Q000145:classification / Q000494:pharmacology*; D014122:Toxoplasma / Q000187:drug effects*
D000981:Antiprotozoal Agents