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. 2022 Aug 12;12(35):22650–22661. doi: 10.1039/d2ra04228b

Molecular docking score, binding affinity values, no. of interacting residues, common interacting residues, and no. of hydrogen bonds for the binding of bioactive compounds of black rice bran with α-glucosidase enzyme.

Ligands Docking score (kcal mol−1) Binding affinity (kcal mol−1) No. of interacting residues No. of common interacting residues No of H-bonds
COG −12.872 −92.47 23 12 5
FLS −11.925 −58.91 24 13 10
α-d-Glucopyranose −9.304 −26.22 16 16 7
SPA −5.858 −30.86 16 8 3
PCmA −4.382 −15.97 9 0 2
SYA −4.315 −23.29 16 13 2
PCA −3.773 −8.65 10 0 3