In Silico Screening of Effective Inhibitor of 5α-Reductase Type 1 for Androgenic Alopecia Treatment

December 2021 in “ Natural Product Research ”

Muhil Raj Prabhakar, Anee Mohanty, Sumer Singh Meena

5α-reductase type 1 androgenic alopecia β-sitosterol brassicasterol campesterol in silico screening phytochemicals molecular dynamics simulations 5-alpha-reductase type 1 male pattern baldness plant sterols

TLDR β-sitosterol and brassicasterol may help treat hair loss.

The study focuses on identifying potential inhibitors of 5α-reductase type 1, an enzyme linked to androgenic alopecia, through in silico screening of 110 phytochemicals. The research highlights β-sitosterol, brassicasterol, and campesterol as promising candidates due to their potential to inhibit 5α-reductase1. Molecular dynamics simulations indicated that β-sitosterol and brassicasterol complexes exhibit stability, suggesting their potential as lead compounds in developing treatments for androgenic alopecia.

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Research cited in this study

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The Efficacy and Safety of Dutasteride Compared with Finasteride in Treating Men with Androgenetic Alopecia: A Systematic Review and Meta-Analysis

research The Efficacy and Safety of Dutasteride Compared with Finasteride in Treating Men with Androgenetic Alopecia: A Systematic Review and Meta-Analysis

38 citations, February 2019 in “Clinical Interventions in Aging”

Dutasteride more effectively treats hair loss than finasteride, but may increase risk of altered libido.

research Effect of Dutasteride 0.5 mg/day in Men with Androgenetic Alopecia Recalcitrant to Finasteride

36 citations, June 2014 in “International Journal of Dermatology”

Dutasteride helps hair growth in those unresponsive to finasteride, but may cause more sexual dysfunction.

research The 5 Alpha-Reductase Isozyme Family: A Review of Basic Biology and Their Role in Human Diseases

218 citations, December 2011 in “Advances in Urology”

The document concludes that the 5 alpha-reductase enzymes are important in steroid metabolism and related to various human diseases, with inhibitors used to treat conditions like male pattern baldness and prostate issues.

The Importance of Dual 5α-Reductase Inhibition in the Treatment of Male Pattern Hair Loss: Results of a Randomized Placebo-Controlled Study of Dutasteride Versus Finasteride

research The Importance of Dual 5α-Reductase Inhibition in the Treatment of Male Pattern Hair Loss: Results of a Randomized Placebo-Controlled Study of Dutasteride Versus Finasteride

215 citations, November 2006 in “Journal of The American Academy of Dermatology”

Dutasteride more effective for hair growth, but has more side effects than finasteride.

research Androgens and Alopecia

165 citations, December 2002 in “Molecular and Cellular Endocrinology”

Male hormones, particularly DHT, are linked to male pattern hair loss, and treatments like finasteride can help, but they don't work for postmenopausal women's hair loss, which may have different causes.

research Molecular Mechanisms of Androgenetic Alopecia

229 citations, August 2002 in “Experimental Gerontology”

AGA causes hair loss by shrinking hair follicles due to DHT binding, and can be treated with finasteride and minoxidil.

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Elevated bile acids can inhibit the enzyme AKR1C2, leading to increased DHT levels, which may accelerate hair loss in those predisposed to androgenetic alopecia. Treatments mentioned include topical minoxidil and finasteride.

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FCE 28260 (PNU 156765), an under-explored 5α-reductase inhibitor, showcases promising results in research by Giudici et al., outperforming well-known treatments like Finasteride in reducing the conversion of testosterone to DHT. Its superior efficacy, demonstrated through lower IC50 values in both natural and human recombinant enzyme studies, suggests it could offer more effective management of DHT-related conditions. Additionally, its lower molecular weight hints at better potential for topical application, potentially offering advantages in treating conditions such as androgenic alopecia. Despite its potential, it has not advanced in development, possibly due to financial limitations, leaving its therapeutic prospects and side effect profile largely unexplored.

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research Recent Advances in the Chemistry and Pharmacological Activity of New Steroidal Antiandrogens and 5α-Reductase Inhibitors

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