Synthesis, biological activities, and evaluation molecular docking-dynamics studies of new phenylisoxazole quinoxalin-2-amine hybrids as potential α-amylase and α-glucosidase inhibitors
Siti Nurshahira Mohd Radzuan, Lacksany Phongphane, Mohamad Hafizi Abu Bakar, Mohammad Tasyriq Che Omar, Nor Shafiqah Nor Shahril, Unang Supratman, Desi Harneti, Habibah A. Wahab, Mohamad Nurul Azmi
Abstract
by forming important interactions with the α-glucosidase enzyme active sites. The molecular dynamics study showed that the selected compounds exhibited relative stability when binding with α-amylase and α-glucosidase enzymes. Additionally, compound 5h demonstrated a similar pattern of motion and mechanism of action as the commercially available miglitol.
Topics & Concepts
AcarboseChemistryIC50AmylaseEnzymeDocking (animal)Active siteStereochemistryAmine gas treatingMolecular dynamicsIn vitroBiochemistryOrganic chemistryComputational chemistryNursingMedicineSynthesis and Biological EvaluationSynthesis and biological activityClick Chemistry and Applications