Table 4.

Results of the docking studies against ALLase.

Compound	S Score	Residue	Interaction	Distance (Å)	E (kcal/mol)
Plumbagin	−5.097	Fe-α	Metal	2.20	−2.2
Lupenone	−5.365	No important residue
Palmitic acid	−5.443	No important residue
Stigmast-5-en-3-ol	−5.689	Asp163	H-donor	2.74	−2.9
		His69	H-pi	3.78	−0.6
Neophytadiene	−5.006	No important residue
Citraconic anhydride	−3.659	Arg237	H-acceptor	3.15	−1.0