Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

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Abstract

A quantum chemical study of the inhibition of ?±-glucosidase by a group of oxadiazole benzohydrazone derivatives

Author(s): Juan S. Gómez-Jeria and Valeria Gazzano

A study of the relationships between electronic structure and α-glucosidase inhibition for a series of oxadiazole benzohydrazone derivatives. The electronic structure was obtained at the B3LYP/6-31G(d,p) level after full geometry optimization. The D-Cent-QSAR software and linear multiple regression analysis were used to obtain a statistically significant equation. Sites for the interaction with electron-rich and electron-deficient centers are proposed.


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