In our study, through in silico predictions, we identified metabolites in the BFNB formulation associated with alopecia, hair fiber fragility, and apoptosis-related processes, including the modulation of intrinsic and extrinsic pathways through key proteins such as p53, Casp3, and Casp8, highlighting their multifaceted therapeutic potential. The gene discussed is CASP8; the disease is alopecia.