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

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...

Повний опис

Бібліографічні деталі
Автори: Norka B. H. Lozano, Rafael F. Oliveira, Karen C. Weber, Kathia M. Honorio, Rafael V. Guido, Adriano D. Andricopulo, Albérico B. F. Da Silva
Формат: Стаття
Мова:English
Опубліковано: MDPI AG 2013-04-01
Серія:Molecules
Предмети:
adenosine compounds
antileishmanial activity
glyceraldehyde 3-phosphate dehydrogenase
DFT
multivariate regression
Онлайн доступ:http://www.mdpi.com/1420-3049/18/5/5032

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http://www.mdpi.com/1420-3049/18/5/5032

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