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1 Bio-Algorithms and Med-Systems

1 2024

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The outer-membrane component of the multi-drug efflux system - a structural analysis based on hydrophobicity distribution

100%

Roterman I. , Konieczny L. , Stapor K.

tom Vol. 20, no. 1

1--14

Aim: The structure of a multi-drug efflux system (specifically the outer membrane part) is the focus of our analysis. The role of electrostatic interactions in the efflux process is well understood. Methods: Our analysis is made possible by the application of the fuzzy oil drop model in its modified form (FOD-M). Results: The distribution of hydrophobicity in the periplasmic and membrane domains plays a significant role in both stabilisation within the membrane and in tunnel formation, which facilitates the transport of antibiotics. Conclusions: The analysis presented in this paper reveals the specificity of hydrophobicity distribution in relation to biological activity, as well as a possible mechanism for the folding process of proteins involved in multi-drug efflux.