Pattern Recognition Techniques Applied to the Study of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase Inhibition
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چکیده
منابع مشابه
Pattern Recognition Techniques Applied to the Study of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase Inhibition
Chemometric pattern recognition techniques were employed in order to obtain Structure-Activity Relationship (SAR) models relating the structures of a series of adenosine compounds to the affinity for glyceraldehyde 3-phosphate dehydrogenase of Leishmania mexicana (LmGAPDH). A training set of 49 compounds was used to build the models and the best ones were obtained with one geometrical and four ...
متن کاملIdentification 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). Density functional theory (DFT) was employed to calculate quantum-chemical descriptors, while several...
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Kinetic data indicate that rabbit muscle glyceraldehyde d-phosphate dehydrogenase possesses two types of diphosphopyridine nucleotide-binding sites. The actual chemical reaction (oxidation-reduction) occurs at tight sites. Binding of DPN to loose sites activates the reaction at the tight sites. These results are consistent with the concept that the enzyme is “double headed,” with oxidation-redu...
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Kinetic data indicate that rabbit muscle glyceraldehyde d-phosphate dehydrogenase possesses two types of diphosphopyridine nucleotide-binding sites. The actual chemical reaction (oxidation-reduction) occurs at tight sites. Binding of DPN to loose sites activates the reaction at the tight sites. These results are consistent with the concept that the enzyme is “double headed,” with oxidation-redu...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2014
ISSN: 1422-0067
DOI: 10.3390/ijms15023186