The Influence of Permeability through Bacterial Porins in Whole-Cell Compound Accumulation
The lack of new drugs for Gram-negative pathogens is a global threat to modern medicine. The complexity of their cell envelope, with an additional outer membrane, hinders internal accumulation and thus, the access of molecules to their targets. Our limited understanding of the molecular basis for co...
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| Published in: | Antibiotics (Basel) Vol. 10; no. 6; p. 635 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
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26-05-2021
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| Abstract | The lack of new drugs for Gram-negative pathogens is a global threat to modern medicine. The complexity of their cell envelope, with an additional outer membrane, hinders internal accumulation and thus, the access of molecules to their targets. Our limited understanding of the molecular basis for compound influx and efflux from these pathogens is a major bottleneck for the discovery of effective antibacterial compounds. Here we analyse the correlation between the whole-cell compound accumulation of ~200 molecules and their predicted porin permeability coefficient (influx), using a recently developed scoring function. We found a strong linear relationship (74%) between the two, confirming porins key in compound uptake in Gram-negative bacteria. The analysis of this unique dataset aids to better understand the molecular descriptors behind whole-cell accumulation and molecular uptake in Gram-negative bacteria. |
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| AbstractList | The lack of new drugs for Gram-negative pathogens is a global threat to modern medicine. The complexity of their cell envelope, with an additional outer membrane, hinders internal accumulation and thus, the access of molecules to their targets. Our limited understanding of the molecular basis for compound influx and efflux from these pathogens is a major bottleneck for the discovery of effective antibacterial compounds. Here we analyse the correlation between the whole-cell compound accumulation of ~200 molecules and their predicted porin permeability coefficient (influx), using a recently developed scoring function. We found a strong linear relationship (74%) between the two, confirming porins key in compound uptake in Gram-negative bacteria. The analysis of this unique dataset aids to better understand the molecular descriptors behind whole-cell accumulation and molecular uptake in Gram-negative bacteria. |
| Author | Bodrenko, Igor V Acosta-Gutiérrez, Silvia Ceccarelli, Matteo |
| AuthorAffiliation | 5 IOM/CNR, Sezione di Cagliari, Cittadella Universitaria di Monserrato, 09042 Monserrato, Italy; bodrenko@iom.cnr.it (I.V.B.); matteo.ceccarelli@dsf.unica.it (M.C.) 6 Department of Physics, University of Cagliari, 09042 Monserrato, Italy 7 CNR/IOM, Cittadella Universitaria di Monserrato, 09042 Monserrato, Italy 1 Physical Chemistry Chemical Physics Division, Department of Chemistry, University College London, London WC1H 0AJ, UK 2 Institute of Structural and Molecular Biology, University College London, London WC1H 0AJ, UK 3 Institute for the Physics of Living Systems, University College London, London WC1H 0AJ, UK 4 EPSRC/JEOL Centre for Liquid Phase Electron Microscopy, University College London, London WC1H 0AJ, UK |
| AuthorAffiliation_xml | – name: 6 Department of Physics, University of Cagliari, 09042 Monserrato, Italy – name: 1 Physical Chemistry Chemical Physics Division, Department of Chemistry, University College London, London WC1H 0AJ, UK – name: 2 Institute of Structural and Molecular Biology, University College London, London WC1H 0AJ, UK – name: 4 EPSRC/JEOL Centre for Liquid Phase Electron Microscopy, University College London, London WC1H 0AJ, UK – name: 3 Institute for the Physics of Living Systems, University College London, London WC1H 0AJ, UK – name: 5 IOM/CNR, Sezione di Cagliari, Cittadella Universitaria di Monserrato, 09042 Monserrato, Italy; bodrenko@iom.cnr.it (I.V.B.); matteo.ceccarelli@dsf.unica.it (M.C.) – name: 7 CNR/IOM, Cittadella Universitaria di Monserrato, 09042 Monserrato, Italy |
| Author_xml | – sequence: 1 givenname: Silvia orcidid: 0000-0002-0122-9769 surname: Acosta-Gutiérrez fullname: Acosta-Gutiérrez, Silvia – sequence: 2 givenname: Igor orcidid: 0000-0003-1141-1449 surname: Bodrenko fullname: Bodrenko, Igor – sequence: 3 givenname: Matteo orcidid: 0000-0003-4272-902X surname: Ceccarelli fullname: Ceccarelli, Matteo |
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| SubjectTerms | Accumulation Antibacterial materials Antibiotics Bacteria Datasets E coli Efflux Genomics Gram-negative bacteria Gram-positive bacteria Pathogens Permeability Permeability coefficient Porins RNA polymerase |
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| Title | The Influence of Permeability through Bacterial Porins in Whole-Cell Compound Accumulation |
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