Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel.

ABSTRACT: Mechanosensitive channel of large conductance (MscL) detects and responds to changes in the pressure profile of cellular membranes and transduces the mechanical energy into electrical and/or chemical signals. MscL can be activated using ultrasonic or chemical activation methods to improve the absorption of medicines and bioactive compounds into cells. However, re-engineering chemical signals such as pH change can trigger channel activation in MscL. This study elucidates the activation mechanism of an engineered MscL at an atomic level through a combination of equilibrium and non-equilibrium (NE) molecular dynamics (MD) simulations. Comparing the wild-type (WT) and engineered MscL activation processes suggests that the two systems are likely associated with different active states and diffe

SUBMITTER: Immadisetty K 

PROVIDER: S-EPMC9156883 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature