In Silico Study of Chemical Compounds in Plantago major L. as Anti-Androgen

Prostate cancer is the most common type of diagnosed in men worldwide and second leading cause death after lung cancer. Testosterone dihydrotestosterone (DHT) have been known to play an essential role prostate Androgen receptor (AR) binding ligand allows homodimerization translocation nucleus, which acts as a transcription factor for androgen-responsive genes such PSA (Prostate-specific antigen). Although many anti-androgens established, including Bicalutamide, Flutamide, Abiraterone, problem non-specific cytotoxicity effects recurrence due potential drug resistance remains significant obstacle establishing effective therapy. Plantago major L. one plants that can choose anticancer therapy because, based on reports, it has activity through DNA damage cells. This study focused search phytochemical anti-androgen, non-cytotoxic, had AR inhibitory activity. uses Lipinski prediction (RO5), ADMET prediction, structure-based approach with molecular docking techniques using PDB ID 2AM9 structure 13 compounds from test ligands compared antagonists. From research results, Hispidulin highest anti-androgen energy (-9.43 kcal/mol) closest natural smaller than Flutamide comparison drug. was hypothesized similarity hydrogen bonds amino acid residues 705-Asn 711-Gln key present Hispidulin.Keywords: cancer, Receptor, L., ADMET, In Silico.