Table 2.

The interacting Polar residues, hydrophobic interactions, and binding affinities of either n-hexadecanoic acid or L-carnitine with SIRT1.

Molecular target and PDB code	Ligand	Hydrogen bond analysis		Amino acids involved in lipophilic analysis*	2D ligand/protein interaction	Binding affinity (kcal/ mol)
		Hydrogen bonds ligand/ Protein	Distance (Å)
SIRT1 (AZZJ)	n-hexadec-anoic acid		3	LEU206, ILE223 and ILE227		-3.8
	L-carnitine		2.3	ILE223 and ILE227		-2.6