000201194 001__ 201194
000201194 005__ 20240625095128.0
000201194 0247_ $$2doi$$a10.1371/journal.pone.0023187
000201194 0247_ $$2Handle$$a2128/8785
000201194 0247_ $$2WOS$$aWOS:000294121300018
000201194 037__ $$aFZJ-2015-03499
000201194 041__ $$aEnglish
000201194 082__ $$a500
000201194 1001_ $$0P:(DE-HGF)0$$aMinozzi, Manuela$$b0
000201194 245__ $$aPermeation through the Cell Membrane of a Boron-Based β-Lactamase Inhibitor
000201194 260__ $$aLawrence, Kan.$$bPLoS$$c2011
000201194 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1434026796_12148
000201194 3367_ $$2DataCite$$aOutput Types/Journal article
000201194 3367_ $$00$$2EndNote$$aJournal Article
000201194 3367_ $$2BibTeX$$aARTICLE
000201194 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000201194 3367_ $$2DRIVER$$aarticle
000201194 520__ $$aBacteria express beta-lactamases to counteract the beneficial action of antibiotics. Benzo[b]-thiophene-2-boronic acid (BZB) derivatives are β-lactamase inhibitors and, as such, promising compounds to be associated with β-lactam antibacterial therapies. The uncharged form of BZB, in particular, is suggested to diffuse through the outer membrane of Gram negative bacteria. In this study, through the combination of electrophysiological experiments across reconstituted PC/n-decane bilayers and metadynamics-based free energy calculations, we investigate the permeation mechanism of boronic compounds. Our experimental data establish that BZB passes through the membrane, while computer simulations provide hints for the existence of an aqueous, water-filled monomolecular channel. These findings provide new perspectives for the design of boronic acid derivatives with high membrane permeability.
000201194 536__ $$0G:(DE-HGF)POF2-899$$a899 - ohne Topic (POF2-899)$$cPOF2-899$$fPOF I$$x0
000201194 588__ $$aDataset connected to CrossRef, juser.fz-juelich.de
000201194 7001_ $$0P:(DE-HGF)0$$aLattanzi, Gianluca$$b1$$eCorresponding Author
000201194 7001_ $$0P:(DE-HGF)0$$aBenz, Roland$$b2
000201194 7001_ $$0P:(DE-HGF)0$$aCosti, Maria P.$$b3
000201194 7001_ $$0P:(DE-HGF)0$$aVenturelli, Alberto$$b4
000201194 7001_ $$0P:(DE-Juel1)145614$$aCarloni, Paolo$$b5$$ufzj
000201194 773__ $$0PERI:(DE-600)2267670-3$$a10.1371/journal.pone.0023187$$gVol. 6, no. 8, p. e23187 -$$n8$$pe23187 -$$tPLoS one$$v6$$x1932-6203$$y2011
000201194 8564_ $$uhttps://juser.fz-juelich.de/record/201194/files/journal.pone.0023187-1.pdf$$yOpenAccess
000201194 8564_ $$uhttps://juser.fz-juelich.de/record/201194/files/journal.pone.0023187-1.gif?subformat=icon$$xicon$$yOpenAccess
000201194 8564_ $$uhttps://juser.fz-juelich.de/record/201194/files/journal.pone.0023187-1.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000201194 8564_ $$uhttps://juser.fz-juelich.de/record/201194/files/journal.pone.0023187-1.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000201194 8564_ $$uhttps://juser.fz-juelich.de/record/201194/files/journal.pone.0023187-1.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000201194 8564_ $$uhttps://juser.fz-juelich.de/record/201194/files/journal.pone.0023187-1.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000201194 909CO $$ooai:juser.fz-juelich.de:201194$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000201194 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)145614$$aForschungszentrum Jülich GmbH$$b5$$kFZJ
000201194 9132_ $$0G:(DE-HGF)POF3-899$$1G:(DE-HGF)POF3-890$$2G:(DE-HGF)POF3-800$$aDE-HGF$$bForschungsbereich Materie$$lForschungsbereich Materie$$vohne Topic$$x0
000201194 9131_ $$0G:(DE-HGF)POF2-899$$1G:(DE-HGF)POF2-890$$2G:(DE-HGF)POF2-800$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bProgrammungebundene Forschung$$lohne Programm$$vohne Topic$$x0
000201194 915__ $$0LIC:(DE-HGF)CCBY3$$2HGFVOC$$aCreative Commons Attribution CC BY 3.0
000201194 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000201194 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews
000201194 915__ $$0StatID:(DE-HGF)1040$$2StatID$$aDBCoverage$$bZoological Record
000201194 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000201194 915__ $$0StatID:(DE-HGF)0500$$2StatID$$aDBCoverage$$bDOAJ
000201194 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000201194 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000201194 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000201194 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF <  5
000201194 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database
000201194 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000201194 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000201194 920__ $$lyes
000201194 9201_ $$0I:(DE-Juel1)GRS-20100316$$kGRS$$lGRS$$x0
000201194 9201_ $$0I:(DE-Juel1)IAS-5-20120330$$kIAS-5$$lComputational Biomedicine$$x1
000201194 9801_ $$aFullTexts
000201194 980__ $$ajournal
000201194 980__ $$aVDB
000201194 980__ $$aFullTexts
000201194 980__ $$aUNRESTRICTED
000201194 980__ $$aI:(DE-Juel1)GRS-20100316
000201194 980__ $$aI:(DE-Juel1)IAS-5-20120330
000201194 981__ $$aI:(DE-Juel1)INM-9-20140121
000201194 981__ $$aI:(DE-Juel1)IAS-5-20120330