Escherichia coli’s OmpA as Biosurfactant for Cosmetic Industry: Stability Analysis and Experimental Validation Based on Molecular Simulations
The development of biosurfactants has increased due to their biodegradability, low toxicity and specificity. The aim of this work is to analyze the behavior of the outer membrane protein A (OmpA) of Escherichia coli by Molecular Dynamics simulations and to perform experimental validation when used as stabilizer for dodecane/water emulsions. Trajectories were analyzed with the analysis tools provided by the GROMACS package. OmpA was purified from E. coli K-12 W3110/pCA24N strain in medium with isopropylthio- β-galactoside. Oil in water emulsions with different concentrations of OmpA were prepared in batch processes. MD trajectories with OmpA reached stability after 1 ns with an average RMSD value of 5.6 nm and they showed that OmpA remains stable in emulsion. An inverse effect related to protein concentration was found on the stability of the emulsion. OmpA displayed a significant role as a stabilizer for dodecane/water emulsions as the presence of OmpA increased their stability up to 7.5 h.
KeywordsMolecular Dynamics OmpA E. coli biosurfactant emulsions
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