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

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Fältnamn	Indikatorer	Metadata
000		03205naa a2200493 4500
001		oai:DiVA.org:umu-54385
003		SwePub
008		120425s2012 \| \|\|\|\|\|\|\|\|\|\|\|000 \|\|eng\|
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-543852 URI
024	7	a https://doi.org/10.1016/j.bmc.2012.01.0482 DOI
040		a (SwePub)umu
041		a engb eng
042		9 SwePub
072	7	a ref2 swepub-contenttype
072	7	a art2 swepub-publicationtype
100	1	a Chorell, Eriku Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)erkchl00
245	1 0	a Mapping pilicide anti-virulence effect in Escherichia coli, a comprehensive structure-activity study
264	1	b Elsevier,c 2012
338		a print2 rdacarrier
520		a 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.
650	7	a NATURVETENSKAPx Kemi0 (SwePub)1042 hsv//swe
650	7	a NATURAL SCIENCESx Chemical Sciences0 (SwePub)1042 hsv//eng
653		a Synechocystis-sp PCC-6803
653		a CAB-like proteins
653		a Alga Chlamydomonas-ReinhardTII
653		a Pigment-Binding Protein
653		a Plant Photosystem-I
653		a State Transitions
653		a Arabidopsis-Thaliana
653		a Antenna Proteins
653		a Gene Family
653		a Inducible Protein
700	1	a Pinkner, Jerome S4 aut
700	1	a Bengtsson, Christofferu Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)chrben00
700	1	a Banchelin, Thomas Sainte-Luceu Umeå universitet,Kemiska institutionen,Umeå Centre for Micobial Research4 aut
700	1	a Edvinsson, Sofieu Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)soeedn02
700	1	a Linusson, Annau Umeå universitet,Kemiska institutionen4 aut0 (Swepub:umu)analin99
700	1	a Hultgren, Scott J4 aut
700	1	a Almqvist, Fredriku Umeå universitet,Kemiska institutionen,Umeå Centre for Micobial Research4 aut0 (Swepub:umu)fral0001
710	2	a Umeå universitetb Kemiska institutionen4 org
773	0	t Bioorganic & Medicinal Chemistryd : Elsevierg 20:9, s. 3128-3142q 20:9<3128-3142x 0968-0896x 1464-3391
856	4	u https://doi.org/10.1016/j.bmc.2012.01.048
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-54385
856	4 8	u https://doi.org/10.1016/j.bmc.2012.01.048

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Av författaren/redakt...: Chorell, Erik; Pinkner, Jerome ...; Bengtsson, Chris ...; Banchelin, Thoma ...; Edvinsson, Sofie; Linusson, Anna; visa fler...; Hultgren, Scott ...; Almqvist, Fredri ...; visa färre...

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