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 mu g/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 mu g/ml, respectively. These results confirm the usefulness of our topological approach for the selection and design of new-lead drugs active against Toxoplasma gondii.
toxoplasma gondii molecular connectivity linear discriminant analysis topological indices pharmacological distribution diagrams elisa