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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Bibliografski detalji
Glavni autori: Norka B. H. Lozano, Rafael F. Oliveira, Karen C. Weber, Kathia M. Honorio, Rafael V. Guido, Adriano D. Andricopulo, Albérico B. F. Da Silva
Format: Članak
Jezik:English
Izdano: MDPI AG 2013-04-01
Serija:Molecules
Teme:
adenosine compounds
antileishmanial activity
glyceraldehyde 3-phosphate dehydrogenase
DFT
multivariate regression
Online pristup:http://www.mdpi.com/1420-3049/18/5/5032

Internet

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

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