Table 3 Docking results of kojic acid and orlistat with the human pancreatic lipase enzyme
Compound | S (kcal/mol) | Amino acids | Interacting groups | Type of interaction | Length |
|---|---|---|---|---|---|
Kojic acid | −3.6920 | Lys80 | OH | H-bond (acceptor) | 3.12 |
Asn84 | O (C=O) | H-bond (acceptor) | 2.99 | ||
Trp252 | Pyranone | Arene-Arene | 3.50 | ||
Orlistat | −6.3694 | Lys80 | O (lactone | H-bond (acceptor) | 3.12 |
Asn84 | C=O) | H-bond (acceptor) | 3.08 | ||
Trp252 | O (ester C=O) CH | Arene-H | 4.04 |