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. 2024 Mar 13;32(5):102026. doi: 10.1016/j.jsps.2024.102026

Table 4.

Compounds and protein targets with best docking score and related molecular interactions.

Targets Compounds Binding energy (Kcal/mol) Interactions
Hydrophobic interactions Hydrogen bonds Salt bridges Pi-stacking
Aldose reductase(AR) Luteolin
Inline graphic 		−10 Kcal/mol TRP20, TYR209, LYS262 ASP43, TYR48, LYS77, TYR209, LEU212, SER214 TYR209
Alpha amylase (AMY2A) Friedelin
Inline graphic 		−9.4 Kcal/mol TYR58, ILE61, GLU86, LYS87, VAL88, ASN92, ARG111 LYS87, ARG111 PHE209
Alpha glucosidase (GAA) isorhamnetin-3-o-rutinoside
Inline graphic 		−8 Kcal/mol TYR58, ILE59, GLU86, LYS87, VAL88, ASN92, ARG111, LYS307. ARG309 PHE209
Dipeptidyl peptidase IV(DPP4) Friedelin
Inline graphic 		−8.7 Kcal/mol HIS757, GLN761