Molecular dynamics provides new insights into the mechanism of calcium signal transduction and interdomain interactions in cardiac troponin.

ABSTRACT: Understanding the regulation of cardiac muscle contraction at a molecular level is crucial for the development of therapeutics for heart conditions. Despite the availability of atomic structures of the protein components of cardiac muscle thin filaments, detailed insights into their dynamics and response to calcium are yet to be fully depicted. In this study, we used molecular dynamics simulations of the core domains of the cardiac muscle protein troponin to characterize the equilibrium dynamics of its calcium-bound and calcium-free forms, with a focus on elements of cardiac muscle contraction activation and deactivation, that is, calcium binding to the cardiac troponin Ca²⁺ -binding subunit (TnC) and the release of the switch region of the troponin inhibitory subunit (TnI) from

SUBMITTER: Genchev GZ 

PROVIDER: S-EPMC8255835 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature