In Silico Prediction of Metabolites in Petroselinum Crispum for Inhibiting Androgen Receptor as Treatment for Alopecia

The study aimed to identify compounds in Petroselinum crispum (parsley) with potential as treatments for alopecia by examining their ability to bind to the androgen receptor, their pharmacokinetic properties using Lipinski's rule, and their toxicity. The methodology involved molecular docking simulations using Autodock Vina, ADME prediction with SwissADME, and toxicity prediction with PASS. Out of 24 compounds found in Petroselinum crispum, six showed better binding affinities to the androgen receptor than minoxidil, a common alopecia treatment. The compound (+)-Marmesin was highlighted as having good activity based on ADMET values and was suggested as a potential alternative therapy for alopecia, although it did not outperform native ligands in receptor interaction.