A Simple and Portable Personal Glucose Meter Method Combined with Molecular Docking for Screening of Lipase Inhibitors

Table 3

Docking results of six small-molecule compounds with lipase.

Compounds	Binding energy (Kcal/mol)	Hydrogen-bonds	Other amino acid residues
(−)-Epigallocatechin gallate	−7.43	SER128, LYS132, ASN131, and LEU93	PRO134, PRO67, LEU133, ASP160, LYS66, TYR95, and GLY94
(−)-Epigallocatechin	−6.26	SER128, LYS132, LYS66, and LEU275	LEU133, PRO134, TYR95, PRO67, ARG276, ASN131, and SAP160
(−)-Epicatechin gallate	−7.89	SER128, LYS132, ASN131, and LYS66	PRO67, TYR95, LEU133, ASP160, and PRO134
Epicatechin	−6.48	SER128, PRO67, and ASP160	LYS66, LYS132, LEU133, PRO134, TYR95, ARG161, and ASN131
Rosmarinic acid	−6.19	ARG272 and LYS132	SER273, LEU275, ARG276, TYR95, PRO67, LEU133, SER128, ASN131, LEU93, LYS66, and PRO134
(+)-Catechin	−6.30	LEU275, LEU93, and ASP160	TYR95, GLY94, LYS66, ARG276, ARG161, ASN131, SER128, LYS132, LEU133, PRO67, and PRO134