Structural characterization and QSAR modeling of 1,2,4-triazole derivatives as α-glucosidase inhibitors
Rahma Dahmani, Marwa Manachou, Salah Belaıdı, Samir Chtita, Salima Boughdiri
Abstract
In order to identify potential new drugs classified as alpha-Glucosidase inhibitors (AGIs), we used quantum chemical descriptors and QSAR modeling to predict the biological activity of triazole derivatives as AGIs.
Topics & Concepts
ChemistryQuantitative structure–activity relationshipQuantum chemicalTriazoleCombinatorial chemistryStereochemistryComputational chemistryComputational biologyMoleculeOrganic chemistryBiologyComputational Drug Discovery MethodsClick Chemistry and ApplicationsSynthesis and biological activity