Molecular Search of New Active Drugs Against Toxoplasma Gondii |
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| Authors: | R Gozalbes J Gálvez R García-Domenech F Derouin |
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| Institution: | 1. Unidad de Investigatión de Conectividad Molecular y Dise?o de Fármacos. Departamento de Quimica-Fisica , Facultad de Farmacia, Universidad de Valencia , Avenida Vicent Andrés Estellés, s/n. 46100, Burjassot, Valencia, Spain;2. Laboratoire de Parasitologie-Mycologie. Faculté de Médecine, U.F.R. Lariboisière-Saint-Louis , 15 rue de l'Ecole de Médecine, 75270, Paris Cedex 06, France |
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| Abstract: | Abstract 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 μg/m1, 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 μg/ml, respectively. These results confirm the usefulness of our topological approach for the selection and design of new-lead drugs active against Toxoplasma gondii. |
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| Keywords: | Molecular connectivity topological indices linear discriminant analysis pharmacological distribution diagrams Toxoplasma gondii ELISA |
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