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. 2021 Nov 16;7(12):e08407. doi: 10.1016/j.heliyon.2021.e08407

Table 3.

Represents the Receptor-Ligand Interactions with selected ligands with Sucrose α-glucosidase (sucrase) and respective binding energies.

Enzyme Pdb Id Pubchem Cid And Inhibitor Docked Active Site Residues Cdocker Energy (kcal/mol) Residues Interactions
Sucrose α-glucosidase
Sucrose hydrolase (SUH)
3CZE/3CZK CID 44144284
Gymnemic Acid I
PHE 140,PHE244
ARG278,ASP280
SER281,TYR284
GLU322,ILE324
VAL325, ASP392, HIS443, ARG515.
-95.8172 HIS443, GLU322, ALA323
CID 10051937
Gymnemagenin
-73.8771 ILE324, VAL325, ASP392
CID 14264063
Gymnemic acid IV
-101.119 ASP393, GLY395
CID 91617592
Gymnemic Acid VII (NO interactions)
NO interactions GLU322, SER281, HIS443, PHE345, SER241,