Molecular Docking of Vitamin D3 Receptor with Potential Herbal Substances as Ligands to Prevent Excessive Hair Loss in Menopausal Women

    August 2022 in “ Indonesian Journal of Medical Chemistry and Bioinformatics ”
    Aditya Parawangsa, Syailendra Karuna Sugito, Ariestiana Ayu Ananda Latifa, Nadya Dinda Safira, Shafa Ayuthaya, Raissa Rahmalia Az Zahra
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    TLDR Certain herbal compounds might help prevent hair loss in menopausal women by activating Vitamin D receptors.
    The in-silico study aimed to identify potential ligands that could act as Vitamin D Receptor (VDR) agonists to prevent excessive hair loss in menopausal women. The researchers used molecular docking with Autodock version 4.2 and found that Dolichosterone, Gartanin, (-)-Matairesinol, Luteolin, 5-HETE, Sinapyl glucoside, and Geraniol showed the smallest to larger binding energy when simulated in the software (-9.72, -7.70, -7.20, -6.88, -5.76, -5.71 kcal/mol). These compounds are potential VDR agonists, suggesting they could be used in herbal-based therapies for hair loss in menopausal women. However, further research is needed to determine each compound's drug potential and optimize therapeutic concentration for medicinal purposes.
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