Skip to main content
. 2022 Jun 23;11(13):1668. doi: 10.3390/plants11131668

Table 6.

Results of the docking studies against huDHOase.

Compounds S Score Receptor Residue Interaction Distance (Å) E (kcal/mol)
Stigmast-5-en-3-ol −6.8351 Asp1686 H-donor 2.77 −0.8
Zn-α Metal 2.07 −1.7
Zn-β Metal 2.25 −2.0
7,8-Dihydro-α-ionone −6.3427 Zn-α Metal 2.11 −1.8
Zn-β Metal 2.13 −1.7
α-Amyrin −6.0751 Asn 1505 H-donor 2.97 −1.0
24-Noroleana-3,12-diene −5.8697 His 1473 H-pi 4.42 −0.5
Betulin −5.8655 Glu 1561 H-donor 3.34 −0.5
24-Norursa-3,12-diene −5.6540 No important residue