Interspecies Anticancer and Antimicrobial Activities of Genus Solanum and Estimation of Rutin by Validated UPLC-PDA Method

Table 6

Interaction of rutin with DNA gyrase B.

	Hydrogen bonds	Hydrophobic interactions	Other residues	Binding energy (kcal/mol)^#	Binding affinity (M^−1)	MM-GBSA (kcal/mol)
DNA gyrase B	Asn46, Asp49, Glu50, Asp73, Arg76	Ala47, Ala53, Ile78, Pro79, Ile90, Val118, Val120	Gly75, Gly77, Lys110, Gly119, Arg136, Thr165	-9.191	5.51 × 10^6	-88.521

These residues form two hydrogen bonds; ^#binding energy in extra precision (XP) mode.