Model simulations and Experimental Data to study L. monocyotegenes inactivation with Benzalkonium chloride (BAC).

Publication

See details of this material in following article

Martín Pérez-Rodríguez, Marta López Cabo, Eva Balsa-Canto, Míriam R García*. (2023) Mechanisms of Listeria monocytogenes disinfection with Benzalkonium chloride: from molecular dynamics to kinetics of time-kill curves International Journal of Molecular Sciences 24 (15), 12132. doi:10.3390/ijms241512132.

Outline

Here we provide

1. Videos with molecular dynamics of a BAC molecule integration into a L. monocytogene membrane for different repetitions. It shows that (1) the BAC approaches the cellular membrane, (2) the BAC is adsorbed on its surface, and (3) it is rapidly integrated into the lipid bilayer, where it remains at least for several nanoseconds, probably destabilising the membrane.
2. MATLAB scripts with the kinetic model and data used to simulate time-kill curves of L. monocytogenes with benzalkonium chloride (BAC), a widely used desinfectant. The model explains and predicts the interplay between disinfectant and pathogen at two different initial microbial densities (inocula) and BAC concentrations (dose). For simulation in matlab of the model, please run in Matlab the file Main_simulate_kinetics.m

Acknowledgements

We acknowledge the funding received from the MCIN/AEI/10.13039/501100011033 (grant RTI2018-093560-J-I00, "ERDF A way of making Europe"), from CSIC (grant 20213AT001) and Xunta de Galicia (grant GAIN IN607B 2020/03).