Discovery of new β-D-galactosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening

Glycosidases, including β‐D‐galactosidase, are involved in a variety of metabolic disorders, such as diabetes, viral or bacterial infections, and cancer. Accordingly, we were prompted to find new β‐D‐galactosidase inhibitors. Towards this end, we scanned the pharmacophoric space of this enzyme using...

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Veröffentlicht in:	Journal of computational chemistry 2011-02, Vol.32 (3), p.463-482
Hauptverfasser:	Abdula, Ahmed Mutanabbi, Khalaf, Reema Abu, Mubarak, Mohammad S., Taha, Mutasem O.
Format:	Artikel
Sprache:	eng
Schlagworte:	beta-Galactosidase - antagonists & inhibitors beta-Galactosidase - metabolism Drug Design Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Escherichia coli - enzymology in silico screening Models, Molecular pharmacophore modeling Quantitative Structure-Activity Relationship quantitative structure-activity relationships receiver-operating characteristic shape constraints β-D-galactosidase inhibitors
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