Evidence-Based Complementary and Alternative Medicine

Research Article

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

Table 12

Molecular docking analysis of compound 4 against the fungal enzyme lanosterol 14α-demethylase enzyme (PDB ID: 4wmz) on the basis of the type of bonds, bond distances, and interacting amino acids.


Bond type	Bond distance (Å)	Interacting amino acid of protein

Hydrophobic	5.43	A:ILE139
Hydrophobic	5.31	A:ILE139
Hydrophobic	4.67	A:LYS151
Hydrophobic	5.05	A:VAL154
Hydrophobic	4.99	A:VAL311
Hydrophobic	4.47	A:VAL311
Hydrophobic	5.46	A:ILE471
Hydrophobic	5.35	A:ILE471
Hydrophobic	3.57	A:VAL311
Hydrophobic	4.58	A:ILE139
Hydrophobic	4.62	A:LEU147
Hydrophobic	4.15	A:LYS151
Hydrophobic	4.93	A:LEU307
Hydrophobic	4.69	A:ILE139
Hydrophobic	4.68	A:VAL154
Hydrophobic	3.90	A:VAL311
Hydrophobic	3.97	A:LEU380
Hydrophobic	4.20	A:LEU380
Hydrophobic	5.21	A:LEU383
Hydrophobic	4.79	A:TYR126
Hydrophobic	5.32	A:PHE134
Hydrophobic	5.34	A:TYR140
Hydrophobic	5.20	A:PHE236
Hydrophobic	4.76	A:PHE236