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

Table 8

The docking results of the complex of S. aureus DNA gyrase subunit A and the ligands.

Compounds	BFE (kcal/Mol)	Cavity volume (Å^3)	Contact residues
Rosmarinic acid	-7.7	967	ARG92, GLN95, PHE97, SER98, TYR99, GLY111, SER112, MET113, GLY115, ASP116, ASN170, PRO219, THR220, ILE264, PRO265, PHE266, GLN267, VAL268, ASN269, LYS270
Caffeic acid	-5.9	967	ARG92, GLN95, PHE97, SER98, SER112, MET113, ASP114, GLY115, THR220, ILE264, PRO265, PHE266, GLN267, VAL268, ASN269, LYS270
Hesperidin	-10.1	967	GLY41, LEU42, LYS43, HIS46, GLU88, VAL91, ARG92, GLN95, PHE97, SER98, TYR99, PHE110, GLY111, SER112, MET113, ASP114, GLY115, ASP116, GLY117, ASN170, GLY171, ALA172, SER173, THR220, ILE264, PRO265, PHE266, GLN267, VAL268, ASN269, LYS270
Ciprofloxacin	-8.0	967	LYS43, HIS46, ARG92, GLN95, PHE97, SER98, TYR9,9 SER112, MET113, ASP114, GLY115, SER173, THR220, PHE266, GLN267, VAL268, ASN269, LYS270