Research Article

Citral Induced Apoptosis through Modulation of Key Genes Involved in Fatty Acid Biosynthesis in Human Prostate Cancer Cells: In Silico and In Vitro Study

Table 4

Molecular interaction analysis of neral and geranial against each target protein.

ProteinsMoleculesDocking energy (Kcal/mol)Interaction residues

FASNNeral−6.3ILE2250, LEU2251, PHE2323, PHE2370, PHE2371, ALA2419, PHE2423
Geranial−6.4LEU2222, GLU2251, PHE2370, PHE2371, PHE2375

Bcl-2Neral−5.2ALA97, ASP100, PHE101, TRP141, GLY142, VAL145, TYR199, PHE195, LEU198
Geranial−5.3ALA97, PHE101, TYR105, TRP141, GLY142, VAL145, PHE195, LEU198, TYR199