Structural investigation and binding site consideration of Huntingtin protein-ligand complexes by IMS-HDX-MS and molecular dynamics simulations

摘要

Huntington's disease (HD) is a severe genetic neurodegenerative disorder caused by the expansion of a polyglutamine (PolyQ) tract in exon1 of huntingtin protein (httex1) beyond a critical pathogenic length of approximately 35 glutamine (Gln) residues [1]. This characteristic leads to the generation of amyloid-like fibrillar aggregates affecting stratum and cortex areas of patients diagnosed with this disease [2].