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 |