Identification of Electronic and Structural Descriptors of Adenosine Analogues Related to Inhibition of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase

Quantitative structure–activity relationship (QSAR) studies were performed in order to identify molecular features responsible for the antileishmanial activity of 61 adenosine analogues acting as inhibitors of the enzyme glyceraldehyde 3-phosphate dehydrogenase of Leishmania mexicana (LmGAPDH). Dens...

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Main Authors: Norka B. H. Lozano, Rafael F. Oliveira, Karen C. Weber, Kathia M. Honorio, Rafael V. Guido, Adriano D. Andricopulo, Albérico B. F. Da Silva
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2013-04-01
Colecção:Molecules
Assuntos:
adenosine compounds
antileishmanial activity
glyceraldehyde 3-phosphate dehydrogenase
DFT
multivariate regression
Acesso em linha:http://www.mdpi.com/1420-3049/18/5/5032
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