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

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.