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. 2024 Mar 5;14(11):7684–7698. doi: 10.1039/d3ra08642a

Binding energy of related quinoxaline–isoxazole derivatives and acarbose with α-amylase and α-glucosidase enzymes.

Enzyme Compound Binding energya (kcal mol−1)
α-Amylase (2QV4) 5h −8.9 ± 0.10
5i −8.6 ± 0.11
Acarbose −7.7 ± 0.11
α-Glucosidase (3TOP) 5a −8.6 ± 0.15
5b −8.6 ± 0.10
5c −9.0 ± 0.20
5e −8.6 ± 0.10
5h −8.7 ± 0.15
Acarbose −7.5 ± 0.00
a

SD for n = 3 experiments.