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• W2033963553 abstract "Herein we present results of a quantitative structure-activity relationship (QSAR) studies to classify and design, in a rational way, new antitrypanosomal compounds by using non-stochastic and stochastic bond-based quadratic indices. A data set of 440 organic chemicals, 143 with antitrypanosomal activity and 297 having other clinical uses, is used to develop QSAR models based on linear discriminant analysis (LDA). Non-stochastic model correctly classifies more than 93% and 95% of chemicals in both training and external prediction groups, respectively. On the other hand, the stochastic model shows an accuracy of about the 87% for both series. As an experiment of virtual lead generation, the present approach is finally satisfactorily applied to the virtual evaluation of 9 already synthesized in house compounds. The in vitro antitrypanosomal activity of this series against epimastigote forms of Trypanosoma cruzi is assayed. The model is able to predict correctly the behaviour for the majority of these compounds. Four compounds (FER16, FER32, FER33 and FER 132) showed more than 70% of epimastigote inhibition at a concentration of 100 microg/mL (86.74%, 78.12%, 88.85% and 72.10%, respectively) and two of these chemicals, FER16 (78.22% of AE) and FER33 (81.31% of AE), also showed good activity at a concentration of 10 microg/mL. At the same concentration, compound FER16 showed lower value of cytotoxicity (15.44%), and compound FER33 showed very low value of 1.37%. Taking into account all these results, we can say that these three compounds can be optimized in forthcoming works, but we consider that compound FER33 is the best candidate. Even though none of them resulted more active than Nifurtimox, the current results constitute a step forward in the search for efficient ways to discover new lead antitrypanosomals." @default.
• W2033963553 created "2016-06-24" @default.
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• W2033963553 date "2010-01-01" @default.
• W2033963553 modified "2023-10-17" @default.
• W2033963553 title "Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis" @default.
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• W2033963553 cites W1985783033 @default.
• W2033963553 cites W1986371873 @default.
• W2033963553 cites W1988249921 @default.
• W2033963553 cites W1988875897 @default.
• W2033963553 cites W1989266032 @default.
• W2033963553 cites W1990200116 @default.
• W2033963553 cites W1993180192 @default.
• W2033963553 cites W1996238124 @default.
• W2033963553 cites W2002005952 @default.
• W2033963553 cites W2002503642 @default.
• W2033963553 cites W2003823790 @default.
• W2033963553 cites W2006037110 @default.
• W2033963553 cites W2006567450 @default.
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• W2033963553 cites W2017013630 @default.
• W2033963553 cites W2021217831 @default.
• W2033963553 cites W2022515140 @default.
• W2033963553 cites W2023312638 @default.
• W2033963553 cites W2025978382 @default.
• W2033963553 cites W2030038317 @default.
• W2033963553 cites W2058655555 @default.
• W2033963553 cites W2062895519 @default.
• W2033963553 cites W2068068200 @default.
• W2033963553 cites W2070646335 @default.
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• W2033963553 cites W2074183668 @default.
• W2033963553 cites W2074908177 @default.
• W2033963553 cites W2075224137 @default.
• W2033963553 cites W2078064829 @default.
• W2033963553 cites W2080888478 @default.
• W2033963553 cites W2083352412 @default.
• W2033963553 cites W2084734097 @default.
• W2033963553 cites W2086324268 @default.
• W2033963553 cites W2086571384 @default.
• W2033963553 cites W2086808617 @default.
• W2033963553 cites W2090990570 @default.
• W2033963553 cites W2093354577 @default.
• W2033963553 cites W2094253930 @default.
• W2033963553 cites W2094942990 @default.
• W2033963553 cites W2095258814 @default.
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• W2033963553 cites W2098429260 @default.
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• W2033963553 cites W2130023734 @default.
• W2033963553 cites W2133293687 @default.
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• W2033963553 doi "https://doi.org/10.1016/j.ejps.2009.10.007" @default.
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