Evaluation of Susceptibility of the Human Pathogen Helicobacter pylori to the Antibiotic Capreomycin

Table 2

Binding affinity and inhibitory constant prediction of capreomycin against HpTlyA and MtbTlyA.

Compounds	PubChem CID	Binding affinity (kcal/mol)	Inhibitory constant	Interactive residues	Interactive bond (s)
H. pylori’s 16S/23S rRNA (Cytidine-2′-O)-methyltransferase TlyA (HpTlyA)
Capreomycin	3000502	−7.43	3.56 uM	Asp106	Salt bridge
				Val107	Conventional hydrogen bond
				Gly108	Conventional hydrogen bond
				Lys109	Carbon hydrogen bond
				Glu126	Salt bridge
				Glu127	Conventional hydrogen bond
					Salt bridge
M. tuberculosis’s 16S/23S rRNA (Cytidine-2′-O)-methyltransferase TlyA (MtbTlyA)
Capreomycin	3000502	−6.27	25.3 uM	Trp120	van der Waals
				Arg123	Conventional hydrogen bond
					Carbon hydrogen bond
				Asn124	Conventional hydrogen bond
				Asp125	Conventional hydrogen bond
				Pro126	van der Waals
				Val128	Conventional hydrogen bond
					Carbon hydrogen bond
				Val129	van der Waals
				Val130	Conventional hydrogen bond
				Leu131	van der Waals
				Glu132	Conventional hydrogen bond
					Salt bridge