Biological Activity of Selected Compounds from Annona muricata Seed as Antibreast Cancer Agents: Theoretical Study

Table 4

Calculated binding free energies and its components for the complexes using the MM-GBSA method extracted from the last 1000 frames of 100 ns.

Compound	ΔEvdw	ΔEele	ΔGgas	ΔGpolar	ΔGnonpolar	ΔGsolvation	ΔGbind
C	−87.98	−10.94	−98.91	34.36	−11.16	23.20	−75.71
5FU	−17.39	−2.24	−19.63	6.96	−2.32	4.63	−15.00

The energy components are in kcal/mol.