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Letters in Drug Design & Discovery


ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

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

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

Volume 8, Issue 2, 2011

Page: [172 - 180] Pages: 9

DOI: 10.2174/157018011794183851

Price: $65


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.

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

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