Skip to main content
. 2023 Aug 22;13(36):24988–25001. doi: 10.1039/d3ra05330j

Results of docking studiesa.

Sample Binding energy (kcal mol−1) Binding residues/bond lengths (Å)
α-Glucosidase α-Amylase Urease α-Glucosidase α-Amylase Urease
6a −3.6 −6.1 −5.2 Arg-609 = 3.5 Ser-4 = 2.9, Thr-6 = 3.0 Arg-145 = 3.1
1 interaction 2 interactions 1 interaction
6b - - −6.1 - - Arg-141 = 3.1 and 3.0
2 interactions
6c −0.7 −5.6 Thr-384 = 2.5 - Asn-16 = 3.5
1 interaction 1 interaction
6d −1.1 −5.6 - Arg-420 = 2.8 Tyr-143 = 3.0
1 interaction 1 interaction
6e −1.5 - −6.1 Arg-587 = 3.1 - Asn-16 = 5.1, Arg-142 = 3.3
1 interaction 2 interactions
a

“-” in table refers to compounds that are inactive for respective enzyme inhibition.