Discovery of Novel 5α-Reductase Type II Inhibitors by Pharmacophore Modelling, Virtual Screening, Molecular Docking and Molecular Dynamics Simulations

    January 2014 in “ Molecular Simulation ”
    Jhih-Lun Wang, Hsuan‐Liang Liu, Zheng-Li Zhou … Yih Ho
    Studysummary This study discovered a potential new 5α-reductase type II inhibitor with higher predicted activity than finasteride, suggesting it as a promising candidate for treating benign prostatic hyperplasia.
    Automatically generated from the study's abstract, not written by a person, and not a review of the full paper. Not medical advice or a treatment recommendation. Read the original study, and consult a qualified healthcare professional before changing treatment. Full disclaimer
    Read the full study on tandfonline.com →
    Discuss this study in the Community →

    Research cited in this study 14

    1. Discovery of a Novel Hybrid from Finasteride and Epristeride as 5α-Reductase Inhibitor Bioorganic & Medicinal Chemistry Letters · 2010
    2. An Overview on 5α-Reductase Inhibitors Steroids · 2009
    3. Inhibition of Human Steroid 5β-Reductase (AKR1D1) by Finasteride and Structure of the Enzyme-Inhibitor Complex Journal of Biological Chemistry · 2009
    4. The Effect of 5-Reductase Inhibitors on Erectile Function International Journal of Andrology · 2008
    5. A New Look at the 5-Alpha-Reductase Inhibitor Finasteride Cns Drug Reviews · 2006
    6. Novel 5α-Reductase Inhibitors: Synthesis, Structure-Activity Studies, and Pharmacokinetic Profile of Phenoxybenzoylphenyl Acetic Acids Journal of Medicinal Chemistry · 2005
    7. Cyclohex-1-Ene Carboxylic Acids: Synthesis and Biological Evaluation of Novel Inhibitors of Human 5α Reductase Archiv Der Pharmazie · 2003
    8. Novel Lead Generation Through Hypothetical Pharmacophore Three-Dimensional Database Searching: Discovery of Isoflavonoids as Nonsteroidal Inhibitors of Rat 5α-Reductase Journal of Medicinal Chemistry · 2001
    9. Steroid 5α-Reductases and 3α-Hydroxysteroid Dehydrogenases: Key Enzymes in Androgen Metabolism Baillière's best practice and research in clinical endocrinology and metabolism/Baillière's best practice & research. Clinical endocrinology & metabolism · 2001
    10. Synthesis and 5α-Reductase Inhibitory Activity of 8-Substituted Benzo[ƒ]Quinolinones Derived from Palladium Mediated Coupling Reactions Bioorganic & Medicinal Chemistry Letters · 1998
    11. PNU 157706, A Novel Dual Type I and II 5α-Reductase Inhibitor The Journal of Steroid Biochemistry and Molecular Biology · 1998
    12. The Enzyme and Inhibitors of 4-Ene-3-Oxosteroid 5α-Oxidoreductase Steroids · 1995
    13. The Effect of Finasteride in Men with Benign Prostatic Hyperplasia The New England Journal of Medicine · 1992
    14. The Clinical Development of a 5α-Reductase Inhibitor, Finasteride The Journal of Steroid Biochemistry and Molecular Biology · 1990