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Table 7 Dynamic properties of PPARγ-caffeic acid complex, PPARγ-topiramate complex, and PPARγ-T3 complex

From: Design, synthesis, 2D-QSAR, molecular dynamic simulation, and biological evaluation of topiramate–phenolic acid conjugates as PPARγ inhibitors

Type of energy

PPARγ-caffeic acid complex

PPARγ-topiramate complex

PPARγ-T3 complex

Bond average energy

1283.25 kJ/mol

1385.02 kJ/mol

1312.6 kJ/mol

Potential energy

− 7.3257912e + 05 kJ/mol

− 7.2699112e + 05 kJ/mol

− 7.3615656e + 05 kJ/mol

Proper-Dihedral average energy

10,561.9 kJ/mol

10,664.8 kJ/mol

10,716.3 kJ/mol

Improper-Dihedral average energy

179.937 kJ/mol

189.107 kJ/mol

185.199 kJ/mol