Skip to main content

Table 1 Docking scores of selective antiparasitic agents for CYP51

From: Interactions of antiparasitic sterols with sterol 14α-demethylase (CYP51) of human pathogens

Antitrypanosomal agents CYP51
  T. cruzi T. brucei M. Tuberculosis L. infantum H. sapiens
1-O-Acetylkhayanolide B -102.7 -106.1 -101.2 -107.0 -96.5
20-epi-Isoiguesterinol -101.2 -91.9 -79.2 -34.7 -88.5
7-Deacetylkhivorin -101.8 -70.0 -114.1 -88.2 -44.6
Khivorin -111.7 -97.5 -101.9 -94.5 -96.6
Physalin K -6.4 -112.1 -84.6 -94.0 -88.7
Physalin V -104.3 -97.9 -86.3 -114.6 -77.4
Procerin 128.0 -121.4 -85.4 -48.6 -49.3
Saringosterol -112.3 -102.5 -94.7 -122.0 -106.6
Taraxerol -104.7 -74.8 -46.7 -89.5 -88.1
Ursolic acid -110.9 -79.5 -82.7 -102.3 -90.2
α-Amyrin -102.4 -80.2 2.5 -99.4 -88.8
β-Amyrin -104.8 -79.5 5.5 -99.0 -78.5
epi -Oleanolic acid -37.0 -95.5 -88.2 -105.7 -85.8
Isoiguesterin -94.0 -85.5 -70.9 -83.7 -78.9
  1. The bold numbers indicates the lowest docking score for each compound.