2025 AIChE Annual Meeting

(389c) Multi-Scale Modeling in the Pathogenesis of Multiple Sclerosis

Multiple Sclerosis is an autoimmune disease of the central nervous system that affects the brain and the spinal cord. The immune system attacks the insulating covering of the neuron called myelin, disrupting nerve impulses and causing neurological symptoms. Motivated by this, we atomistically explore the binding specificity of Polypyrimidine Tract Binding Protein 1 (PTB1) - an RNA-binding protein expressed in Multiple Sclerosis. We screen PTB1 with RNA sequences to better understand the role of its four RNA Recognition Motifs (RRMs) during splicing. In addition, We model the myelin sheath of the neuron using Martini 3 to explore the altered implications of two proteins, Myelin Basic Protein (MBP) and Proteolipid Protein (PLP), that serve to stabilize and protect the myelin sheath.