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

Table 5

Interaction of rutin with Topoisomerase IIα.

	Hydrogen bonds	Hydrophobic interactions	Other residues	Binding energy (kcal/mol)^#	Binding affinity (M^−1)	MM-GBSA (kcal/mol)
Topoisomerase IIα	Ser148, Lys157	Ile125, Pro126, Val137, Leu140, Ile141, Ala167	Mg, Asn91, Asp94, Arg98, Lys123, Hie130, Thr147, Ser148, Ser149, Asn150, Gly161, Gly164, Gly166, Lys168,	-10.532	5.03 × 10^7	-96.481

energy in extra precision (XP) mode.