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...

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Xehetasun bibliografikoak
Egile Nagusiak: Norka B. H. Lozano, Rafael F. Oliveira, Karen C. Weber, Kathia M. Honorio, Rafael V. Guido, Adriano D. Andricopulo, Albérico B. F. Da Silva
Formatua: Artikulua
Hizkuntza:English
Argitaratua: MDPI AG 2013-04-01
Saila:Molecules
Gaiak:
adenosine compounds
antileishmanial activity
glyceraldehyde 3-phosphate dehydrogenase
DFT
multivariate regression
Sarrera elektronikoa:http://www.mdpi.com/1420-3049/18/5/5032

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