Multiple sclerosis (MS) is an autoimmune inflammatory disease characterized by cranial and spinal cord demyelination, driven by B-cell- and T-cell-mediated mechanisms. The current MS therapeutic market is dominated by monoclonal antibody therapies, with an emphasis on depleting whole or partial immune B-cell populations. Although recent therapies are partially efficacious, their concurrent and broad-spectrum effects (both disease-associated as well as beneficial B-cell functions) render patients susceptible to serious secondary risks of opportunistic infection and carcinogenesis. This project aims to use multiple AI/ML and in silico peptide docking platforms, complemented by in vitro and in vivo experimentation, to design first-in-class therapeutics that specifically target the molecular underpinnings of MS without broadly immunosuppressing the patient. Our facile and tunable approach is also applicable to the design of therapeutics for over 80 other autoimmune diseases, comprising a therapeutic market expected to total US$113B by 2028.