Table 4.

Predicted binding free energy and hydrogen bonds. A. spruceanum metabolites were docked in the selected Leishmania targets. Reference, 7.4 or/and 8.4 indicate pH of the medium.

	$\mathbf{∆}\mathbf{G} \left(\frac{\mathbf{k}\mathbf{c}\mathbf{a}\mathbf{l}}{\mathbf{m}\mathbf{o}\mathbf{l}}\right);\mathbf{H}\mathbf{b}\mathbf{o}\mathbf{n}\mathbf{d}\mathbf{s}$
	APA		APC			TBT
Targets	Reference	7.4	Reference	7.4	8.4	Reference	7.4
DHFR-TS	−8.17;2	−8.99; 1	−9.33; 3	−8.61; 1	−9.57; 1	−9.26; 1	−8.45; 1
PTR1	−8.01; 1	−8.85; 1	−8,36; 1	−9.02; 2	−9.66; 2	−8.29; 2	−8.17; 1
PK	−8.15; 0	−8.52; 0	−8.57; 0	−8.65; 1	−8.45; 3	−9.01; 2	−8.78; 1
HGPRT L.	−6.77; 0	−8.39; 1	−8.25; 2	−8.48; 0	−8.4; 1	−7.98; 1	−7.66; 0
SQS L.	−8.73; 1	−7.98; 0	−7.41; 1	−7.53; 0	−9.31;2	−7.25; 1	−7.36; 0