Pulling MscL open via N-terminal and TM1 helices: A computational study towards engineering an MscL nanovalve.

ABSTRACT: There are great opportunities in the manipulation of bacterial mechanosensitive (MS) ion channels for specific and targeted drug delivery purposes. Recent research has shown that these ion channels have the potential to be converted into nanovalves through clever use of magnetic nanoparticles and magnetic fields. Using a combination of molecular dynamics (MD) simulations and the finite element (FE) modelling, this study investigates the theoretical feasibility of opening the MscL channel (MS channel of large conductance of E. coli) by applying mechanical force directly to its N-terminus. This region has already been reported to function as a major mechanosensor in this channel. The stress-strain behaviour of each MscL helix was obtained using all atom MD simulations. Using the same method,

SUBMITTER: Martinac AD 

PROVIDER: S-EPMC5578686 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature