Skip to main content
. 2022 Apr 29;11(5):881. doi: 10.3390/antiox11050881

Table 4.

Interaction binding energy (S; kcal/mol) as well as (RMSD; A) binding accuracy of isolated compounds from V. vinifera seeds and co-crystallized ligand within TGFBR1 kinase (PDB ID: 6B8Y).

Compounds Energy Score (S; kcal/mol) RMSD (Å)
28 −5.7708 0.9288
29 −4.847 0.5381
30 −6.777 0.9806
31 −5.5238 1.0294
32 −7.019 0.9637
34 6.5779 1.0290
6B8Y co-crystallized ligand −5.102 1.1231
33 −7.3066 1.6720
35 −5.4909 1.2527
36 2.7322 2.2620