Antibacterial and Antioxidant Activity of Ecoenzyme Solution Prepared from Papaya, Pineapple, and Kasturi Orange Fruits: Experimental and Molecular Docking Studies

Table 7

The docking results of the complex of E. coli DNA gyrase subunit A and the ligands.

Compounds	BFE (kcal/Mol)	Cavity volume (Å^3)	Contact residues
Rosmarinic acid	-7.5	351	ARG32, ALA33, ASP39, GLY40, LEU41, LYS42, VAL44, HIS45, THR88, ARG91, MET92, SER97, LEU98, LEU102, LEU134, ASN165, LEU166, ASN169, GLY170, SER171, SER172, TYR266
Caffeic acid	-6.0	351	ASP39, GLY40, LEU41, LYS42, HIS45, ARG91, MET92, LEU98, LEU102, LEU134, ASN165, LEU166, ASN169, GLY170, SER171, SER172, GLY173, TYR266, GLN267,
Hesperidin	-8.3	351	ARG32, ALA33, PRO35, GLY40, LEU41, LYS42, VAL44, HIS45, SER83, ALA84, VAL85, ASP87, THR88, ARG91, MET92, LEU98, LEU102, ASN165, ASN169, GLY170, SER171, SER172, GLY173, ILE174, TYR266, GLN267
Ciprofloxacin	-6.9	351	TYR86, ASP87, THR88, VAL90, ARG91, GLN94, PHE96, SER97, GLY110, SER111, ILE112, GLY114, ASP115, SER116, ALA117, TYR266, GLN267, VAL268