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Design and synthesis of novel quinazolinone-pyrazole derivatives as potential α-glucosidase inhibitors: Structure-activity relationship, molecular modeling and kinetic study
Design and testing of new quinazolinone-pyrazole compounds as possible α-glucosidase blockers: relationship between structure and activity, computer modeling, and reaction analysis
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Abstract
All quinazolinone-pyrazole hybrids showed greater α-glucosidase inhibitory activity than standard acarbose, with IC values ranging from 60.5 ± 0.3 µM to 186.6 ± 20 μM.
- The most potent compound 9i inhibited α-glucosidase in a competitive manner, with an inhibition constant (Ki) of 56 μM.
- Variations in the inhibitory activities of the hybrids were influenced by different substitutions on the phenyl rings of the diphenyl pyrazole structure.
- Molecular docking studies indicated that the designed pharmacophoric moieties effectively interacted with the enzyme's binding site.
- Molecular dynamics and energy calculations revealed differences in structural behavior when comparing the active compound and acarbose with unbound α-glucosidase.
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