Pharmacophore and Atom-Based 3D QSAR Studies on the Novel 5-Alpha-Reductase Inhibitors

    November 2018 in “ Indian Journal of Pharmaceutical Education ”
    Abhishek Shah, Richard Lobo, Krishnadas Nandakumar, Aravinda Pai
    Image of study
    TLDR The developed model can predict effective 5-alpha-reductase enzyme inhibitors.
    The study aimed to design novel 5-alpha-reductase (5aR) enzyme inhibitors to treat benign prostatic hyperplasia (BPH) by reducing dihydrotestosterone (DHT) formation. Using a dataset of 29 ligands and Schrodinger molecular modeling software, a pharmacophore model with two H-bond acceptors and three hydrophobic groups (AAHHH.715) was developed. This model resulted in a statistically significant 3D QSAR model with an r² value of 0.9804 and a q² value of 0.8321. The squared correlation coefficients for the training and test sets were 0.96 and 0.87, respectively. The study concluded that the developed model could predict the requirements for effective 5aR enzyme inhibitors.
    Discuss this study in the Community →

    Related Community Posts Join

    6 / 1000+ results

      community How is dht not beneficial to you?

      in Finasteride/Dutasteride  111 upvotes 1 month ago
      DHT is important for sexual function and mood, but finasteride and dutasteride can reduce DHT, causing side effects like reduced libido and erectile dysfunction. These treatments are effective for hair loss, but their impact on DHT leads to debate.

      community risks with finasteride and dutasteride

      in Research/Science  144 upvotes 8 months ago
      Finasteride and dutasteride have potential risks, including post-finasteride syndrome, but are commonly used for hair loss. RU58841, minoxidil, and needling are suggested as alternatives, though all treatments carry risks.

      community Why use Finasteride instead of Dutasteride?

      in Finasteride/Dutasteride  39 upvotes 2 years ago
      People are discussing why some choose finasteride over dutasteride for hair loss, noting that while dutasteride is more effective, it's also more expensive, less researched, and potentially has more side effects. Some users shared personal experiences with side effects from both drugs, and others mentioned that finasteride is FDA approved for hair loss, while dutasteride is not, except in Japan.

      community Finasteride is Good for Heart Health!

      in Research/Science  119 upvotes 2 years ago
      Finasteride, a hair loss and prostate drug, may also benefit heart health. Some users discuss the potential negative effects of DHT on the heart and the balance between hair loss treatments and heart health.

    Similar Research

    6 / 1000+ results