Table 2.

The docking results of sitagliptin and marker compounds from cinnamon bark and sappan wood.

Ligand Compound	ΔG (kcal/mol)	Inhibition Constant	Interaction
Sitagliptin	−9.60	92.10 nM	Arg125, Glu205, Glu206, Val207, Ser209, Phe357, Arg358, Tyr547, Ser630, Tyr631, Val656, Trp659, Tyr662, Asp663, Tyr666, Asn710, Val711, His740
Brazilin	−6.35	22.06 µM	Glu205, Glu206, Ser209, Arg356, Phe357, Arg358, Tyr666, Arg669, Tyr670
Coumarin	−5.46	99.97 µM	Arg125, Tyr547, Ser630, Tyr631, Tyr662, Val656, Trp659, Tyr666, Asn710, Val711, His740
trans-Cinnamaldehyde	−4.95	237.03 µM	Arg125, Tyr547, Ser630, Tyr631, Val656, Trp659, Tyr662, Tyr666, Asn710, Val711, His740
trans-Cinnamic acid	−4.16	898.84 µM	Arg125, Glu205, Tyr547, Ser630, Tyr631, Val656, Trp659, Tyr662, Tyr666, Val711, His740