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Publications on the project

Brüggemann A, Farre C, Haarmann C, Haythornthwaite A, Kreir M, Stoelzle S, George M, Fertig N. 2008. Planar patch clamp: Advances in Electrophysiology. Methods Mol. Biol. 491: 165-176. [Pubmed link]

Ceccarelli M, Ruggerone P. 2008. Physical insights into permeation of and resistance to antibiotics in bacteria. Curr Drug Targets. 9 (9): 779-788. [Pubmed link]

Ceccarelli M. 2008. Simulating transport properties through bacterial channels. Frontiers in Bioscience (In press)
 
Ceccarelli, M. “Simulating transport properties through bacterial channels”, Frontiers in Bioscience, 14, 3222-3238 (2009)

Chimerel C, Movileanu L, Pezeshki S, Winterhalter M, Kleinekathöfer U. 2008. Transport at the nanoscale: Temperature dependence of ion conductance. Eur. Biopys. J. 38: 121-125. [Pubmed link]

Collu F.; Spiga E.; Kumar A.; Hajjar E., Vargiu A. V.; Ceccarelli M.; and Ruggerone P. Drug Design: Insights from atomistic simulations, Il Nuovo Cimento, 32 (2009)

Davin-Regli A, Bolla JM, Chevalier J, Garnotel E, James CE, Lavigne JP, Molitor A, Pagès JM. 2008. Membrane permeability and regulation of drug -influx and -efflux in enterobacterial pathogens. Curr Drug Targets. 9(9):750-759. [Pubmed link]

Davin-Regli A, Bolla JM, James CE, Lavigne JP, Chevalier J, Garnotel E, Molitor A, Pagès J-M Membrane permeability and regulation of drug "influx and efflux" in enterobacterial pathogens. Curr. Drug Targets. 2008, 9(9) : 750-9. Review.

Dupont M, James C, Chevalier J, Pages J-M. An early response to environmental stress involves regulation of  OmpX and OmpF, two Enterobacterial outer membrane pore-forming channels. Antimicrob. Agents Chemother. 2007, 51: 3190-3198

Dupont M, James CE, Chevalier J, Pagès JM. 2007. An early response to environmental stress involves regulation of OmpX and OmpF, two enterobacterial outer membrane pore-forming proteins. Antimicrob Agents Chemother. 51 (9): 3190-3198. [Pubmed link]

Farre C, Haythornthwaite A, Haarmann C, Stoelzle S, Kreir M, George M, Brüggemann A, Fertig N. 2009. Port-a-Patch and Patchliner: High Fidelity Electrophysiology for Secondary Screening and Safety Pharmacology. Combinatorial Chemistry & High Throughput Screening. 12: 24-37. [Pubmed link]

Farre C., Haythornthwaite A., Haarmann C., Stoelzle S., Kreir M., George M., Brüggemann A. and Fertig N. Port-a-Patch and Patchliner: High Fidelity Electrophysiology for Secondary Screening and Safety Pharmacology. 2009. Comb. Chem. & HTS, 2009, 12 (1), 24-37.

Fernandes F. ; Neves P. ; Gameiro P. ; Loura LMS. ; Prieto M.(2007). Ciprofloxacin interactions with bacterial protein Ompf: modelling of FRET from a multi-tryptophan protein trimer, Biochim. Biophys. Acta- Biomembranes 2007, 1768, 2822-2830.

Gameiro P. ; Rodrigues C. ; Baptista T. ; Sousa I. ; de Castro B.(2007). Solution studies on binary and ternary complexes of copper(II) with some fluoroquinolones and 1,10-phenanthroline: a possible antimicrobial activity of metalloantibiotics, Int. J. Pharm. 2007, 334, 129-136

Gaßmann O, Kreir M, Ambrosi C, Pranskevich J, Oshima A, Röling C, Sosinsky G, Fertig N, Steinem C. 2009. M34A mutant of connexin Cx26 reveals active conductance state in pore-suspending membranes. Structural Biology. (in press)

Gaßmann O., Kreir M., Ambrosi C., Pranskevich J., Oshima A., Röling C., Sosinsky G., Fertig N., Steinem C. J (2009). M34A mutant of connexin Cx26 reveals active conductance state in pore-suspending membranes. Struct Biol. 2009 Oct;168(1):168-76.

Hajjar E, Bessonov A, Molitor A, Kumar A, Mahendran KR, Winterhalter M, Pagès J-M, Ruggerone Paolo, Ceccarelli M. Screening for antibiotics with enhanced permeation properties through bacterial porins: proof of concept. Manuscrit soumis.

Hajjar E, Dejaegere A, Reuter N. Challenges in pKa predictions for proteins: the case of Asp213 in human proteinase 3. J Phys Chem A 113, 11783-11792 (2009)

Hajjar E, Mahendran K, Kumar A, Bessonov A, Petrescu M, Weingart H, Ruggerone P, Winterhalter M, Ceccarelli M. Bridging time and length scales: from macroscopic flux to molecular mechanism of antibiotics diffusion through porins, Biophys. J. (2010) in press.

Hajjar E.; Bessonov A.; Molitor A.; Kumar A.; Mahendran K.; Winterhalter M.; Pages J.M.; Ruggerone P. and Ceccarelli M. Screening for antibiotics with enhanced permeation properties: proof of concept using molecular simulations, submitted to J. Med. Chem.

Hajjar E.; Kumar A.; Ruggerone P. and Ceccarelli M. Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels, submitted to J. Mol. Model.

Hajjar E.; Mahendran K.; Kumar A.; Bessonov A.; Petrescu M.; Weingart H.; Ruggerone P.; Winterhalter M. and Ceccarelli M. Bridging time and length scales: from macroscopic flux to molecular mechanism of antibiotics diffusion through porins, Biophys. J. in press

James CE, Mahendran KR, Molitor A, Bolla JM, Bessonov AN, Winterhalter M, Pagès JM. How beta-lactam antibiotics enter bacteria: a dialogue with the porins. PLoS One. 2009, 4(5):e5453.

James CE, Mahendran KR, Molitor A, Bolla JM, Bessonov AN, Winterhalter M, Pagès JM. 2008. How bacteria screen ß-Lactam antibiotics: the porin passport control. PLoS ONE. (In review)

James CE, Mahendran KR, Molitor A, Bolla JM. Bessonow AN, Winterhalter M, Pagès JM. How ß-lactam Antibiotics Enter Bacteria : A Dialogue with the Porins. PLoS ONE 4 (2009) e5453.

Khare C, Mach T, Weingart H, Winterhalter M. 2008. Permeation through nanochannels: a novel system for the characterization of biological channels. Advances in Engineering Science Sect. C (1), January-March 2008, 13-22.

Kreir M, Farre C, Beckler M, George M, Fertig N. 2008. Rapid screening of membrane protein activity: electrophysiological analysis of OmpF reconstituted in proteoliposomes. Lab Chip. 8 (4): 587-595. [Pubmed link]
 
Kreir M. ,. Farre C.,. Beckler M., George M., Fertig N. : Rapid Screening of Membrane Protein Activity: Electrophysiological Analysis of OmpF Reconstituted in Proteoliposomes , Lab-on-a-chip

Kumar A. ; Hajjar E.; Ruggerone P. and Ceccarelli M. Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF, submitted to J. Phys. Chem B.

Mach T, Chimerel C, Fritz J, Fertig N, Winterhalter M, Fuetterer C. 2008. Miniaturized planar lipid bilayer: increased stability, low electric noise and fast fluid perfusion. Anal Bioanal Chem. 390 (3): 841-846. [Pubmed link]
 
Mach T, Neves P, Spiga E, Weingart H, Winterhalter M, Ruggerone P, Ceccarelli M, Gameiro P. 2008. Facilitated permeation of antibiotics across membrane channels--interaction of the quinolone moxifloxacin with the OmpF channel. J Am Chem Soc. 130 (40): 13301-13309. [Pubmed link]

Mach T.;  Neves P.; Spiga E.; Weingart H. ; Winterhalter M. ; Ruggerone P. ; Ceccarelli M. ; Gameiro P. (2008). Facilitated permeation of antibiotics across membrane channels – interaction of the quinolone moxifloxacin with the OmpF channel. J. Am. Chem. Soc. 2008, 130 , 13301–13309.

Mahendran K.; Hajjar E.; Mach T.; Lovelle M.; Sousa I.; Kumar A.; Spiga E.; Weingart H.; Gameiro P.; Winterhalter M. and Ceccarelli, M. Molecular Basis of Enrofloxacin Translocation through a Bacterial Porin –When Binding does not Imply Translocation, submitted to J. Phys. Chem. B

Mahendran KR, Chimerel C, Mach T, Winterhalter M. Antibiotic translocation through membrane channels: temperature dependent ion current fluctuation for catching the fast events. Eur. Biophys. J. 38 (2009) 1141-4.

Mahendran KR, Kreir M, Weingart H, Fertig N, Winterhalter M. Permeation of antibiotics through E. coli OmpF and OmpC porins: Screening for influx on a single-molecule level. J. Biomol. Screen., (2010) in press.

Mahendran KR, Kreir M, Weingart H, Fertig N, Winterhalter M. Permeation of Antibiotics through Escherichia coli OmpF and OmpC Porins: Screening for Influx on a Single-Molecule Level. Journal of Biomolecular Screening. DOI: 10.1177/1087057109357791

Molitor A, Farrell-Ward S, James CE, Bolla JM, Fanning S, Pagès J-M, Davin-Regli A. Ram locus is a key regulator to trigger MDR in Enterobacter aerogenes. Manuscrit en cours de rédaction.

Neves P, Lopes SC, Sousa I, Garcia S, Eaton P, Gameiro P. 2009. Characterization of membrane protein reconstitution in LUVs of different lipid composition by fluorescence anisotropy. J Pharm Biomed Anal. 49(2):276-281. [Pubmed link]

Neves P, Sousa I, Winterhalter M, Gameiro P. 2009. Fluorescence Quenching as a Tool to Investigate Quinolone Antibiotic Interactions with Bacterial Protein OmpF. J. Membr. Biol. (in press). [Pubmed link]

Neves P, Sousa I, Winterhalter M, Gameiro P. Fluorescence Quenching as a Tool to Investigate Quinolone Antibiotic Interactions with Bacterial Protein OmpF. J. Membr. Biol. 227 (2009) 133-140.

Neves P. ; Berkane E. ; Gameiro P. ; Winterhalter M. ; de Castro B.(2005). Interaction between quinolones antibiotics and bacterial outer membrane porin OmpF, Biophys. Chem. 2005, 113, 123-128.

Neves P. ; Leite A. ; Rangel M. ; de Castro B. ; Gameiro P.(2007). Influence of structural factors on the enhanced activity of moxifloxacin: a fluorescence and EPR spectroscopic study. Anal. Bioanal. Chem. 2007, 387, 1543-1552.

Neves P. ; Lopes S. C. D. N. ; Sousa I. ; Garcia S. ; Eaton P. ; Gameiro P.(2009). Characterization of membrane protein reconstitution in LUVs of different lipid composition by fluorescence anisotropy. J. of Pharm. and Biom Anal., 2009, 49, 276–281

Neves P. ; Winterhalter M. ; Gameiro P.(2009). Fluorescence Quenching as a tool to investigate quinolone antibiotics interaction with bacterial protein Ompf. J.Membrane Biol. 2009, 227, 133–140.

Ostroumova OS, Malev VV, Bessonov AN, Takemoto JY, Schagina LV. 2008. Altering activity of syringomycin E via membrane dipole potential. Langmuir. 24 (7): 2987-2991. [Pubmed link]

Pagès J.-M, James CE, Winterhalter M. The porin and the permeating antibiotic: a selective diffusion barrier in Gram-negative bacteria. Nat. Rev. Microbiol. 2008, 6(12) : 893-903.

Pagès JM, James CE, Winterhalter M. 2008. The porin and the permeating antibiotic: a selective diffusion barrier in Gram-negative bacteria. Nature Review Microbiol. 6: 893-903. [Pubmed link]

Pezeshki S, Chimerel C, Bessonov AN, Winterhalter M, Kleinekathöfer U. Understanding ion conductance on a molecular level: An all-atom modeling of the bacterial porin OmpF. Biophys. J. 97 (2009) 1898-906.

Schwarz G, Damian L, Winterhalter M. 2007. Model-free Analysis of Binding at Lipid Membranes Employing Micro-calorimetric Measurements. Eur. Biophys. J. 36: 571-579. [Pubmed link]

Tran QT, Dupont M, Lavignet JP, Chevalieri J, Pagès JM, Sotto A, Davin-Regli A. 2009. Occurence of Efflux Mechanism and Cephalosporinase Variant in a Population of Enterobacter aerogenes and Klebsiella pneumoniae Producing Extended-Spectrum β-Lactamases. Antimicrob. Agents Chemother. (in press). [Pubmed link]

Weingart H, Petrescu M, Winterhalter M. 2008. Biophysical characterization of in- and efflux in Gram-negative bacteria. Curr. Drug. Targets. 9(9): 789-796. [Pubmed link]