| Ferulic acid ester 1 |
346 |
Hydrophobic interactions only |
279 |
HBs with Thr:25A, Cys:44A and hydrophobic interactions |
|
S isomer of 2 |
192 |
HBs with Glu:166A, Gly:143A, Leu:141A and occupied hydrophobic interaction |
321 |
Two HBs with Thr:25A and occupied hydrophobic interaction |
|
R isomer of 2 |
167 |
HBs with Gly:143A and occupied with Hydrophobic interaction |
333 |
Two HBs with Thr:25A, Asp:187A and occupied with hydrophobic interaction |
| Chalcone 3 |
286 |
Hydrophobic interactions only |
56 |
Two HBs with Gly:189A, Gln:192A and occupied with Hydrophobic interaction |
| Aglycone of 3 |
80 |
HBs with Glu:166A, Hist:163A, Ser:144A. Styryl part interacted with hydrophobic interactions |
187 |
HBs with Arg:188A. Styryl part interacted with hydrophobic interactions |
| Flavanone 4 |
87 |
HBs with Gln:192A, Ser:144A. Benzopyrane architecture interacted with hydrophobic interactions |
133 |
HBs with Ala:193A, His:94A. Benzopyrane architecture interacted with hydrophobic interactions |
| Taxifolin |
137 |
HB with Glu:166A and occupied deeply with hydrophobic interaction |
151 |
HBs with Glu:166A, Thr:190A, Asp:187A and occupied deeply with hydrophobic interaction |
| Saquianiver |
15 |
HBs with Glu:166A (two HB), His:164A. Benzyl moiety and quinoline ring occupied with hydrophobic interaction |
123 |
HBs with Glu:166A (two HB), His:164A, Gln:189A. Benzyl moiety and quinoline ring occupied with hydrophobic interaction |
| α-ketoamide |
560 |
HBs with Glu:166A, Leu:167A, Asn:142A. Benzyl and cyclopropyl moieties participated hydrophobic interactions |
176 |
HB with Met:165A. Benzyl and cyclopropyl moieties participated hydrophobic interactions |
| N3 |
347 |
HBs with Thr:190A, Glu:166A, Leu:167A, His:164A, Cys:145:A, Met:165A. Benzyl and thiazole parts participated hydrophobic interactions |
258 |
HBs with Glu:166A, Gln:189A. Thiazoleo peptide part, isopropyl and benzyl arms participated hydrophobic interactions |
