Computational Characterization of the Interaction of CARD Domains in the Apoptosome.

ABSTRACT: The apoptosome, a critical protein complex in apoptosis regulation, relies on intricate interactions between its components, particularly the proteins containing the Caspase Activation and Recruitment Domain (CARD). This work presents a thorough computational analysis of the stability and specificity of CARD-CARD interactions within the apoptosome. Departing from available crystal structures, we identify important residues for the interaction between the CARD domains of Apaf-1 and Caspase-9. Our results underscore the essential role of these residues in apoptosome activity, offering prospects for targeted intervention strategies. Available experimental complex structures were able to validate the protein-protein docking consensus approach used herein. We furthermore extended our analysis t

SUBMITTER: Ortega-Vallbona R 

PROVIDER: S-EPMC11755718 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature