Mapping of Steroids Binding to 17β-Hydroxysteroid Dehydrogenase Type 1 Using Monte Carlo Energy Minimization Reveals Alternative Binding Modes †

Monte Carlo-minimized energy profile of

Monte Carlo-minimized energy profile of estradiol in the ligand-binding tunnel of 17β-hydroxysteroid dehydrogenase: Atomic mechanisms of steroid recognition

✍ Boris S. Zhorov; Sheng-Xiang Lin 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 342 KB 👁 1 views

17␤-Estradiol (E 2 ) is a potent stimulator of certain forms of breast cancer. The final step of E 2 biosynthesis is catalyzed by the estrogenic 17␤-hydroxysteroid dehydrogenase (17␤-HSD1), which is an important target for anticancer drugs. X-ray crystallography indicated that the binding site for t