Multiscale simulation unravel the kinetic mechanisms of inflammasome assembly.

ABSTRACT: In the innate immune system, the host defense from the invasion of external pathogens triggers the inflammatory responses. Proteins involved in the inflammatory pathways were often found to aggregate into supramolecular oligomers, called 'inflammasome', mostly through the homotypic interaction between their domains that belong to the death domain superfamily. Although much has been known about the formation of these helical molecular machineries, the detailed correlation between the dynamics of their assembly and the structure of each domain is still not well understood. Using the filament formed by the PYD domains of adaptor molecule ASC as a test system, we constructed a new multiscale simulation framework to study the kinetics of inflammasome assembly. We found that the filament assembl

SUBMITTER: Su Z 

PROVIDER: S-EPMC7307778 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature