Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 1-14 |
| Number of pages | 14 |
| Journal | Bio-Algorithms and Med-Systems |
| Volume | 20 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 2024 |
Keywords
- efflux
- efflux pomp
- hydrophobicity
- membrane proteins
- outer-membrane proteins
ASJC Scopus subject areas
- General Computer Science
- Medicine (miscellaneous)
- Biochemistry, Genetics and Molecular Biology (miscellaneous)
- Health Informatics
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