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

Table 5

FRED chemguass4 score of compounds 1–4 and co-crystalized reported ligand against docking with bacterial enzyme beta-hydroxyacyl-ACP dehydratase HadAB (PDB ID: 4rlt).

Compound code	FRED chemguass4 score
Compd_1	−11.85
Compd_2	−10.34
Compd_3	−11.07
Compd_4	−10.55
4RLT_cc	−14.85