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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).
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Reproductive Biology and Endocrinology

ISSN: 1477-7827

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