Virtual Insights into Natural Compounds as Potential 5α-Reductase Type II Inhibitors: A Structure-Based Screening and Molecular Dynamics Simulation Study

    November 2023 in “ Life ”
    Sibhghatulla Shaikh, Shahid Ali, Jeong Ho Lim … Inho Choi
    Studysummary In this study using a virtual screening approach, eriocitrin and silymarin were identified as potent flavonoid compounds that strongly and stably interacted with 5α-reductase type II, suggesting potential development as novel treatments for androgenic alopecia.
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    Research cited in this study 18

    1. A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational COVID-19 Drug Discovery Chemical Biology & Drug Design · 2022
    2. Structure of Human Steroid 5α-Reductase 2 with the Anti-Androgen Drug Finasteride Nature Communications · 2020
    3. 5-Alpha Reductase Inhibitors in Androgenetic Alopecia: Shifting Paradigms, Current Concepts, Comparative Efficacy, and Safety Dermatologic Therapy · 2020
    4. Finasteride and Its Potential for the Treatment of Female Pattern Hair Loss: Evidence to Date Drug Design Development and Therapy · 2020
    5. The Use of Minoxidil in the Treatment of Male and Female Androgenetic Alopecia: A Story of More Than 30 Years Italian journal of dermatology and venereology · 2018
    6. The Effectiveness of Treatments for Androgenetic Alopecia: A Systematic Review and Meta-Analysis Journal of The American Academy of Dermatology · 2017
    7. Assessing Finasteride-Associated Sexual Dysfunction Using the FAERS Database Journal of The European Academy of Dermatology and Venereology · 2017
    8. Guidelines on the Use of Finasteride in Androgenetic Alopecia Indian Journal of Dermatology, Venereology and Leprology · 2016
    9. 5α-Reductase Inhibitors in Androgenetic Alopecia Current Opinion in Endocrinology, Diabetes and Obesity · 2014
    10. Hair Organ Regeneration Via Bioengineered Hair Follicular Unit Transplantation Scientific Reports · 2012
    11. Fully Functional Hair Follicle Regeneration Through the Rearrangement of Stem Cells and Their Niches Nature Communications · 2012
    12. An Overview on 5α-Reductase Inhibitors Steroids · 2009
    13. 5-Alpha Reductase Inhibitors and Erectile Dysfunction: The Connection The Journal of Sexual Medicine · 2008
    14. Male-Pattern Baldness Susceptibility Locus at 20p11 Nature Genetics · 2008
    15. Finasteride in the Treatment of Androgenetic Alopecia Expert Opinion on Pharmacotherapy · 2004
    16. Molecular Mechanisms of Androgenetic Alopecia Experimental Gerontology · 2002
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    18. Five-Year Follow-Up of Men with Androgenetic Alopecia Treated with Topical Minoxidil Journal of The American Academy of Dermatology · 1990

    Related research 7

    1. Untargeted Metabolomics and Steroid Signatures in Urine of Male Pattern Baldness Patients After Finasteride Treatment for a Year Journal of The American Academy of Dermatology · 2021
    2. 5-Alpha Reductase Inhibitors in Androgenetic Alopecia: Shifting Paradigms, Current Concepts, Comparative Efficacy, and Safety Dermatologic Therapy · 2020
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    5. Finasteride, a Type 2 5α-Reductase Inhibitor, in the Treatment of Men with Androgenetic Alopecia Expert Opinion on Investigational Drugs · 1999
    6. Effect of MK-386, a Novel Inhibitor of Type 1 5 Alpha-Reductase, Alone and in Combination with Finasteride, on Serum Dihydrotestosterone Concentrations in Men The Journal of Clinical Endocrinology and Metabolism · 1996
    7. The Effect of Finasteride, a 5 Alpha-Reductase Inhibitor, on Scalp Skin Testosterone and Dihydrotestosterone Concentrations in Patients With Male Pattern Baldness The Journal of Clinical Endocrinology and Metabolism · 1994