Phytochemicals Analysis, In Vitro Antibacterial Activities of Extracts, and Molecular Docking Studies of the Isolated Compounds from Melhania zavattarii Cufod Leaves

Table 5

Molecular docking results of isolated compounds 1 and 2 with peptide deformylase enzyme (PDF) (PDB ID: 1G2A) of E.coli.

Compounds	Binding energy (kcal/mol)	H-bonding distance (Å)	Interacting residues
1	−9.09	NI	Leu125, Ile44, Cys129, Glu88, His132, Arg97, Glu133, Glu87, Ile86, Gly89, Ile93, Cys90, Glu95, Leu91, Glu42, Glu41, and Ala40
2	−7.05	Cys129 (2.29), Glu133 (2.64), and Leu91 (2.44)	Glu88, Ile44, Arg97, Gly43, Glu42, His7, His132, Leu125, Gly89, Cys90, Glu41, and Pro94
Chloramphenicol	−6.87	Ile44 (2.89)	Gly89, Cys90, Glu42, Leu92, His132, Gly43, and Cys129
		Gly45 (2.97)
		Gln50 (2.86), His136 (3.24), and Glu133 (3.30 and 3.32)
		Arg97 (2.73)