Molecular docking study of phytochemical compounds from Kustakudori ennai as a potential anti-alopecia treatment

Background: Alopecia is a disorder that results in partial or complete shedding of hair from the scalp. Inhibiting the enzyme 5-alpha-reductase is one modern preventive strategy. By blocking the enzyme 5-alpha-reductase, testosterone in the circulatory system undergoes conversion into dihydrotestosterone, becoming a more powerful metabolite. Literature: Kushtakudori Ennai, , Siddha poly herbal drug is used as an Alopecia medicine mentioned in the literature Prana Rakshamirtha Sindhu. The study aims to evaluate the anti-alopecia properties of nine recognized compounds found in Kushtakudori Ennai. . Their interaction with the androgen receptor (PDB code 4K7a) through the use of the Auto doc software and molecular docking was the basis for their activity. Methodology: Autodock 1.5.6., preparation and optimization of three-dimensional structures of compounds, creation of androgen protein structure databases, and ADME-Tox prediction using the pk CSM tool were the stages of research that were carried out. Observation: From the various elements of the polyherbal siddha formulation, a total of nine bioactive lead compounds were solitary. From the reported data of the herbs, the phytochemicals such as Oleic acid, Chebuloside, Friedelin, Maslinic acid, Piperine, Isovitexin, Astragalin, Salsoline and Alangicine. Compounds like Astragalin, Chebuloside, Friedelin, and Piperine reveal a maximum of four to five interactions with the bioactive residues present on the target androgen receptor. Other components such as Isovitexin, Salsoline, Maslinic acid, and Alangicine reveal a maximum of three viable interactions with the target in comparison with the standard drug Finasteride. Conclusion: This suggests that these compounds may impede the binding of native ligands and restrict the process of follicle shrinkage, and these lead to hair fall. Thus, it was determined that the phyto chemical compounds mentioned above might have encouraging anti- alopecia effects.