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

Key binding interactions of compounds 5c and 5h with α-glucosidase protein.

Protein Compound Protein residue Interaction unit of compounds Type of interaction
α-Glucosidase (3TOP) 5c ARG1311 –NO2 H-Bond
ASN1792 N of isoxazole H-Bond
ARG1730 Quinoxaline, isoxazole π–alkyl
ARG1311 –NO2 H-Bond
5h ASN1792 O of isoxazole Carbon H-bond
ARG1311 Phenyl π–alkyl
TYR1787 O of isoxazole H-Bond
HIS1727 Quinoxaline π–π T-shaped
LEU1794 –Cl π–alkyl
ARG1730 Quinoxaline, isoxazole π–alkyl