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The correlation between electronic structure and antimalarial activity of tetrahydropyridines
(Soc Brasileira Quimica, 2015-02-01)
In this study, correlations between electronic structure and the antimalarial activities reported for a group of 21 tetrahydropyridines were evaluated by multivariate methods. Simple and multiple linear regressions, principal ...
Electronic descriptors for the antimalarial activity of sulfonamides
(2016-08-01)
As an interesting class of materials for designing new antimalarial drugs, sulfonamides have shown potential for several pharmacological applications. In this study, multivariate data analyses were employed to correlate ...
Docking and quantitative structure-activity relationship studies for imidazo[1,2-a]pyrazines as inhibitors of checkpoint kinase-1
(SPRINGER, 233 SPRING ST, NEW YORK, NY 10013 USA, 2012)
Insights into the structure of urea-like compounds as inhibitors of the juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm Manduca sexta: Analysis of the binding modes and structure-activity relationships of the inhibitors by docking and CoMFA calculations
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)
Quantitative structure–activity relationship (QSAR) analysis of plant-derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors
(John Wiley & Sons Ltd, 2018-07)
BACKGROUND: We have developed a quantitative structure?activity relationship (QSAR) model for predicting the larvicidal activity of 60 plant-derived molecules against Aedes aegypti L. (Diptera: Culicidae), a vector of ...