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

Table 8

FRED chemguass4 score of compounds 1–4 and co-crystallized ligand against docking with fungal enzyme, i.e., Lanosterol 14α-demethylase enzyme (PDB ID: 4wmz).

Compound code	FRED chemguass4 score
Compd_1	−12.62
Compd_2	−12.72
Compd_3	−12.44
Compd_4	−12.89
Co-crystalized ligand	−11.25