Table 4.

In silico study results.

Ligand name/PubChem ID	Substrate	Target molecule (PDB ID)	k i EI complex (µM)	E binding of EI complex (kcal/mol)	Docking score (3)	Predicted inhibition mode	Inhibition mode in the previous study	Reference	H-bond interaction	Graphical image of ligand-molecule complex
Betulin/CID 72326	Maltose	Rattus alpha amylase model	13.66	−6.66	23.36 µM  $=\frac{\mathrm{938020}\hspace{0.17em}\mu \text{M}\times \mathrm{13.66}\hspace{0.17em}\mu \text{M}}{427180\hspace{0.17em}\mu \text{M}}$  23.36 µM ≈ 29.99 µM	Noncompetitive	—	—	ASN374, ASN374, ASN376
Betulinic acid/CID 64971	Maltose	Porcine pancreatic α-amylase (1.ose)	75.66	−5.62	149.13 µM  $\approx \frac{942460\hspace{0.17em}\mu \text{M}\times 75.66\hspace{0.17em}\mu \text{M}}{493240\hspace{0.17em}\mu \text{M}}$  149.13 µM ≈ 144.26 µM	Noncompetitive	Non competitive	Karthic et al. [14]	—
Bisdemethoxycurcumin/ CID 5315472	Maltose	Human alpha amylase (3.old)	45.86	−5.92	83.49 µM  $\ne \frac{\mathrm{682600}\hspace{0.17em}\mu \text{M}\times \mathrm{\hspace{0.17em}\hspace{0.17em}}\mathrm{45.86}\hspace{0.17em}\mathrm{\mu }\text{M}}{\mathrm{791530}\hspace{0.17em}\mu \text{M}}$  83.49 µM ≠ 39.55 µM	Un competitive or competitive	Un competitive	Najafian [15]	ARG389
Curcumin/CID 969516	Maltose	Human alpha amylase (3.old)	260.62	−4.89	841.04 µM  $\ne \frac{\mathrm{132.63}\hspace{0.17em}\mathrm{\mu }\text{M}\times \mathrm{\hspace{0.17em}\hspace{0.17em}}\mathrm{260.62}\hspace{0.17em}\mathrm{\mu }\text{M}}{\mathrm{791530}\hspace{0.17em}\mathrm{\mu }\text{M}}$  841.04 µM ≠ 0.044 µM	Un competitive or competitive	Competitive	Karthic et al. [14]	LYS 200, GLY 306, HIS 201

Graphical image showed interaction between ligand-substrate and enzyme complexes. Yellow color is ligand, black color is substrate, and whole structure is of amylase.