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

Table 9

Molecular docking analysis of compound 1 against bacterial enzyme beta-hydroxyacyl-ACP dehydratase HadAB (PDB ID: 4rlt) on the basis of the type of bonds, the bond distances, and the interacting amino acids.

Bond type	Bond distance (Å)	Interacting amino acid of target
Hydrogen bond	2.71	A:THR140:OG1
Hydrogen bond	2.94	A:THR138:OG1
Hydrogen bond	2.71	A:THR140:OG1
Hydrogen bond	2.94	A:THR138:OG1
Hydrogen bond	2.71	A:THR140:OG1
Hydrogen bond	2.94	A:THR138:OG1
Hydrophobic	4.64	A:ILE84
Hydrophobic	4.82	A:LEU142
Hydrophobic	5.49	A:LEU142
Hydrophobic	5.24	B:MET60
Hydrophobic	5.45	A:LEU142
Hydrophobic	5.26	A:ILE84
Hydrophobic	4.58	A:LEU142
Hydrophobic	5.18	A:LEU142
Hydrophobic	3.71	A:CYS61
Hydrophobic	4.79	A:CYS61
Hydrophobic	5.03	A:TYR65
Hydrophobic	5.13	A:TYR65
Hydrophobic	5.06	A:TYR65
Hydrophobic	5.41	A:PHE72