Chemical Composition and Hypotensive Effect of Campomanesia xanthocarpa

Table 1

Central pharmacological interactions (Van der Waals, H-bond, and electrostatic) of compounds and residues involved in the binding site of ACE-I with normal and applying the residues consensus analysis.

Compounds	TYR 35	TRP 84	THR 88	SER 105	VAL 108	SER 109	ARG 167	ILE 288
Chlorogenic acid
Van der Waals	−5.5	−13.0	0.0	−5.7	−7.2	0.0	−6.3	−6.9
H-Bond	0.0	0.0	−2.5	0.0	0.0	−4.2	−4.1	0.0
Electrostatic	0.0	0.0	0.0	0.0	0.0	0.0	−1.9	0.0
Quercetin
Van der Waals	−4.2	−19.0	0.0	−6.9	−0.2	−5.1	0.0	−8.2
H-Bond	−5.0	0.0	0.0	−2.1	0.0	0.0	−15.7	0.0
Electrostatic	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0

Confirmed by residue consensus analysis.