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. 2023 Jun 14;14:1190105. doi: 10.3389/fmicb.2023.1190105

Table 9.

Binding free energy values of target proteins complexed with hydroxycitric acid and acarbose.

Protein-ligand complexes Types of binding free energies
Van der Waal's energy (kj/mol) Electrostatic energy (kj/mol) Polar solvation energy (kj/mol) SASA energy (kj/mol) Binding energy (kj/mol)
α-glucosidase-hydroxycitric acid −220.118 −9.313 96.102 −28.166 −189.1022
α-glucosidase-acarbose −134.192 −4.813 62.125 −9.310 −90.102
α-amylase-hydroxycitric acid −211.002 −4.101 29.410 −19.142 −179.001
α-amylase-acarbose −130.161 −2.106 39.340 −9.564 −87.109