Search of QSAR Models for Predicting the Antiprotozoal Activity and Cytotoxicity In Vitro of a Group of Pentamidine Analogous Compounds

Title: Search of QSAR Models for Predicting the Antiprotozoal Activity and Cytotoxicity In Vitro of a Group of Pentamidine Analogous Compounds

Volume: 8 Issue: 2

Author(s): Ramon Garcia-Domenech, Isabel Denise Manhenje, Yamileth Monje, Adassa Lopez-Gonzalez, Rafael Marco, Catalina Tacho and Jorge Galvez

Affiliation:

Keywords: T. b. rhodesiense, P. falciparum, Cytotoxicity, Quantitative structure-activity relationships, Multilinear regression analysis, Topological descriptors, Molecular topology, multilinear regression, pentamidine, pyrimethamine, antifolate, trypanosomiasis, melarsoprol, Eflornithine, nifurtimox, naphthalene, chloroquine-resistant

Abstract: Molecular topology and multilinear regression analysis have been applied to achieve QSAR models for the prediction of the in vitro antiprotozoal activity against T. b. rhodesiense, P. falciparum as well as the cytotoxicity of a group of compounds analogs to pentamidine. Once the models were validated, a molecular screening was carried out for the search of new compounds showing high activity on both parasites and low cytotoxicity.

Cite this article as:

Garcia-Domenech Ramon, Denise Manhenje Isabel, Monje Yamileth, Lopez-Gonzalez Adassa, Marco Rafael, Tacho Catalina and Galvez Jorge, Search of QSAR Models for Predicting the Antiprotozoal Activity and Cytotoxicity In Vitro of a Group of Pentamidine Analogous Compounds, Letters in Drug Design & Discovery 2011; 8 (2) . https://dx.doi.org/10.2174/157018011794183851