Table 3.

Molecular docking simulation of agomelatine to BSA results.

Mode	Affinity (kcal/mol)	RMSD (lower bond)	RMSD (upper bond)	Amino acid residues
1	−8.0	0.000	0.000	Tyr-137, Tyr-160
2	−8.0	2.366	4.355	Arg-185
3	−7.5	24.450	26.418	Arg-185
4	−7.4	4.821	6.194	Arg-185
5	−7.4	2.672	4.920	Tyr-160
6	−7.1	2.849	4.113	Lys-116
7	−7.1	23.682	25.774	Tyr-160
8	−7.0	2.951	7.416	Lys-136
9	−6.9	23.207	25.530	Asp-118

Arg, arginine; Asp, aspartic acid; Lys, lysine; RMSD, root-mean-square deviations of atomic positions; Tyr, tyrosine.