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Table 2 Summarised docking results

From: Different effects of progesterone and estradiol on chimeric and wild type aldosterone synthase in vitro

Ligand

CYP11B2

CYP11B1/B2

ChemGauss4 Score

ΔGbind (kcal/mol)

ChemGauss4 Score

ΔGbind (kcal/mol)

DOC

−16.58

−7.09

−18.70

−7.32

Ketoconazole

−17.66

−8.92

−19.65

−9.63

Progesterone

−15.78

−6.52

−17.98

−6.90

Estradiol

−14.06

−6.26

−16.12

−5.44

  1. ΔGbind: Calculated as Ludi2 Score /-73.33 (kcal/mol).