Research Article

Antioxidant, Cytotoxicity, Antimicrobial Activity, and In Silico Analysis of the Methanolic Leaf and Flower Extracts of Clitoria ternatea

Table 5

Noncovalent connections of C. ternatea leaf compounds with specific proteins as well as their binding connections by hydrogen and hydrophobic bonds.

CIDAmino acid residuesBond typesDistance (Å)Docking score (kcal/mol)

14478556PHE727Hydrophobic4.93−8.2 kcal/mol
PHE727Hydrophobic4.39
TRP754Hydrophobic5.16
LEU750Hydrophobic4.87
LEU750Hydrophobic4.97
LEU750Hydrophobic5.81
PRO783Hydrophobic6.16
ILE729Hydrophobic4.37
ILE786Hydrophobic5.62

6423376PRO783Hydrophobic6.63−6.5 kcal/mol
PHE727Hydrophobic4.35
TRP754Hydrophobic5.65
TRP754Hydrophobic5.67
LEU750Hydrophobic6.71
TRP809Hydrophobic4.11
TRP809Hydrophobic6.57
TRP809Hydrophobic8.07
PRO725Hydrophobic4.55
PRO725Hydrophobic5.01

20393ILE729Hydrophobic4.72−6.3 kcal/mol
LEU750Hydrophobic4.02
LEU750Hydrophobic5.46
PHE727Hydrophobic4.32
PHE727Hydrophobic4.19
PHE727Hydrophobic4.79
TRP754Hydrophobic5.66
PRO783Hydrophobic6.33

The relationship distance was calculated in Å.