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

Table 10

Molecular docking analysis of compound 1 against bacterial enzyme S. aureus tyrosyl-tRNA synthetase (PDB ID: 1jij) based on the type of bonds, bond distances, and interacting amino acids.

Bond type	Bone distance (Å)	Interacting amino acid of target
Hydrogen bond	1.84	A:THR75:OG1
Hydrogen bond	3.04	A:ASP177:OD1
Hydrogen bond	1.84	A:THR75:OG1
Hydrogen bond	3.04	A:ASP177:OD1
Hydrophobic	3.55	A:ALA39
Hydrophobic	4.17	A:ALA39
Hydrophobic	4.83	A:PRO53
Hydrophobic	4.28	A:CYS37
Hydrophobic	3.55	A:LEU70
Hydrophobic	4.84	A:TYR36
Hydrophobic	5.19	A:HIS47
Hydrophobic	4.44	A:HIS50
Hydrophobic	3.48	A:HIS50
Hydrophobic	5.14	A:TYR170