A Computational Approach Using Bioinformatics to Screening Drug Targets for Leishmania infantum Species

Table 2

List of selected proteins and their evaluation as putative molecular targets of strychnobiflavone.

UniProt ID	Molecular Modelling		Druggability		Molecular docking
	PDB hit	-score	Drug score	Simple score	FullFitness (kcal/mol)	Estimated ΔG (kcal/mol)
A4IBI9	2c21A	1.27	0.58	0.20	−498.92	−8.03
A4HSD8	2kdvA	−0.65	0.75	0.28	−501.41	−8.37
A4I8D6	4r04A	−0.82	0.81	0.62	−2985.25	−8.67
E9AHF3	3h8qA	0.26	0.73	0.08	−244.21	−7.40
A4HYU2	3uiwA	0.26	0.63	0.24	−265.49	−7.80
A4I9V3	1ygyA	−0.31	0.79	0.27	−632.91	−8.41