Research Article

Bioassay’s Directed Isolation-Structure Elucidation and Molecular Docking of Triterpenes from Persea duthiei against Biologically Important Microbial Proteins

Table 11

Molecular docking analysis of compound 2 against bacterial enzyme topoisomerase II DNA gyrase (PDB ID: 2xct) on the basis of the type of bonds, bond distances, and interacting amino acids.

Bond typeBond distance (Å)Interacting amino acid of target

Hydrogen bond2.21B:ASP437:OD2
Hydrophobic1.60E:DT8
Hydrophobic4.26B:ARG458
Hydrophobic4.78D:PHE1123
Hydrophobic5.11D:PHE1123
Hydrophobic4.17D:PHE1123
Hydrophobic4.77E:DT8
Hydrophobic4.93E:DT8
Hydrophobic4.58E:DT8
Hydrophobic3.71E:DT8
Hydrophobic3.31G:DG9
Hydrophobic3.52G:DG9
Hydrophobic4.35G:DG9
Hydrophobic5.02H:DA13
Hydrophobic4.93H:DA13
Hydrophobic5.36H:DA13
Hydrophobic3.50H:DA13
Hydrophobic4.08H:DA13
Hydrogen bond2.21B:ASP437:OD2
Hydrogen bond2.21B:ASP437:OD2