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  • Chorell, ErikUmeå universitet,Kemiska institutionen (author)

Mapping pilicide anti-virulence effect in Escherichia coli, a comprehensive structure-activity study

  • Article/chapterEnglish2012

Publisher, publication year, extent ...

  • Elsevier,2012
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:umu-54385
  • https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-54385URI
  • https://doi.org/10.1016/j.bmc.2012.01.048DOI

Supplementary language notes

  • Language:English
  • Summary in:English

Part of subdatabase

Classification

  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • Pilicides prevent pili formation and thereby the development of bacterial biofilms in Escherichia coli. We have performed a comprehensive structure activity relationship (SAR) study of the dihydrothiazolo ring-fused 2-pyridone pilicide central fragment by varying all open positions. Orthogonal projections to latent structures discriminant analysis (OPLS-DA) was used to distinguish active from inactive compounds in which polarity proved to be the most important factor for discrimination. A quantitative SAR (QSAR) partial least squares (PLS) model was calculated on the active compounds for prediction of biofilm inhibition activity. In this model, compounds with high inhibitory activity were generally larger, more lipophilic, more flexible and had a lower HOMO. Overall, this resulted in both highly valuable SAR information and potent inhibitors of type 1 pili dependent biofilm formation. The most potent biofilm inhibitor had an EC(50) of 400nM.

Subject headings and genre

  • NATURVETENSKAP Kemi hsv//swe
  • NATURAL SCIENCES Chemical Sciences hsv//eng
  • Synechocystis-sp PCC-6803
  • CAB-like proteins
  • Alga Chlamydomonas-ReinhardTII
  • Pigment-Binding Protein
  • Plant Photosystem-I
  • State Transitions
  • Arabidopsis-Thaliana
  • Antenna Proteins
  • Gene Family
  • Inducible Protein

Added entries (persons, corporate bodies, meetings, titles ...)

  • Pinkner, Jerome S (author)
  • Bengtsson, ChristofferUmeå universitet,Kemiska institutionen(Swepub:umu)chrben00 (author)
  • Banchelin, Thomas Sainte-LuceUmeå universitet,Kemiska institutionen,Umeå Centre for Micobial Research (author)
  • Edvinsson, SofieUmeå universitet,Kemiska institutionen(Swepub:umu)soeedn02 (author)
  • Linusson, AnnaUmeå universitet,Kemiska institutionen(Swepub:umu)analin99 (author)
  • Hultgren, Scott J (author)
  • Almqvist, FredrikUmeå universitet,Kemiska institutionen,Umeå Centre for Micobial Research(Swepub:umu)fral0001 (author)
  • Umeå universitetKemiska institutionen (creator_code:org_t)

Related titles

  • In:Bioorganic & Medicinal Chemistry: Elsevier20:9, s. 3128-31420968-08961464-3391

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