Table 2. Energy contribution of protein-ligand complexes calculated using MM/PBSA method.

Energy parameter (kJ/mol)	FTO-DT complex	FTO-BT012 complex	FTO-BD064 complex	FTO-RL442 complex	FTO-RL074 complex
Binding energy	−46.24 +/− 84.71	−102.06 +/− 18.95	−61.27 +/− 11.73	−57.40 +/− 18.17	−80.24 +/− 13.50
Electrostatic energy	−11.54 +/− 12.74	−35.09 +/− 24.19	−52.44 +/− 13.78	−71.45 +/− 21.34	−86.31 +/− 15.44
Polar solvation energy	61.62 +/− 43.56	50.41 +/− 31.23	97.22 +/− 22.87	126.14 +/− 31.51	122.35 +/− 18.25
SASA energy	−9.01 +/− 9.94	−12.75 +/− 1.48	−10.69 +/− 1.15	−12.35 +/− 1.35	−13.33 +/− 1.12
Van der Waal energy	−87.30 +/− 94.25	−104.63 +/− 12.03	−95.35 +/− 10.56	−98.73 +/− 11.52	−105.94 +/− 11.91