Molecular basis of enrofloxacin translocation through OmpF, an outer membrane channel of escherichia coli - When binding does not imply translocation

Journal of Physical Chemistry B

Volumn 114, Issue 15, 2010, Pages 5170-5179

  Mahendran, Kozhinjampara R ^a   Hajjar, Eric ^b   MacH, Tivadar ^c   Lovelle, Marcos ^c   Kumar, Amit ^b   Sousa, Isabel ^c   Spiga, Enrico ^b   Weingart, Helge ^a   Gameiro, Paula ^c   Winterhalter, Mathias ^a   Ceccarelli, Matteo ^b  

^a JACOBS UNIVERSITY BREMEN   (Germany)

^b UNIVERSITY OF CAGLIARI   (Italy)

^c UNIVERSITY OF PORTO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ABERRATIONS; ANTIBIOTICS; BINDING SITES; BIOCHEMISTRY; ESCHERICHIA COLI; MOLECULAR DYNAMICS; ORGANIC ACIDS;

ASPARTIC ACIDS; CHANNEL INTERACTIONS; ENROFLOXACIN; FLUOROQUINOLONE ANTIBIOTICS; HIGH RESOLUTION; ION CURRENTS; MOLECULAR BASIS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR PATHWAYS; NEGATIVE CHARGE; OUTER MEMBRANE; SINGLE-POINT MUTATION; STEADY-STATE MEASUREMENTS; TRANSLOCATION PATHWAY; WILD TYPES;

BINDING ENERGY;

EID: 77951100110     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp911485k     Document Type: Article

References (61)

1. Yoshimura, F.; Nikaido, H. Antimicrob. Agents Chemother. 1985, 27, 84-92
2. Nikaido, H. Science 1994, 264, 382-388
3. Mortimer, P. G.; Piddock, L. J. J. Antimicrob. Chemother. 1993, 32, 195-213
4. Cowan, S. W.; Schirmer, T.; Rummel, G.; Steiert, M.; Ghosh, R.; Pauptit, R. A.; Jansonius, J. N.; Rosenbusch, J. P. Nature 1992, 358, 727-733
5. Benz, R.; Schmid, A.; Nakae, T.; Vos-Scheperkeuter, G. H. J. Bacteriol. 1986, 165, 978-986
6. Nestorovich, E. M.; Danelon, C.; Winterhalter, M.; Bezrukov, S. M. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 9789-9794
7. Kresse, H.; Belsey, M. J.; Rovini, H. Nat. Rev. Drug. Discovery 2007, 6, 19-20
8. Andriole, V. T. Clin. Infect. Dis. 2005, 41 S113-S119
9. Chenia, H. Y.; Pillay, B.; Pillay, D. J. Antimicrob. Chemother. 2006, 58, 1274-1278
10. Hooper, D. C. Drug Resist. Updates 1999, 2, 38-55
11. Delcour, A. H. Biochim. Biophys. Acta 2009, 1794, 808-816
12. Higgins, P. G.; Fluit, A. C.; Schmitz, F. J. Curr. Drug Targets 2003, 40, 181-190
13. Chevalier, J.; Mallea, M.; Pages, J. M. Biochem. J. 2000, 348, 223-227
14. Berlanga, M.; Ruiz, N.; Hernandez-Borrell, J.; Montero, T.; Vinas, M. Can. J. Microbiol. 2000, 46, 716-722
15. De, E.; Basle, A.; Jaquinod, M.; Saint, N.; Mallea, M.; Molle, G.; Pages, J. M. Mol. Microbiol. 2001, 41, 189-198
16. Begic, S.; Worobec, E. A. Can. J. Microbiol. 2007, 53, 710-719
17. James, C. E.; Mahendran, K. R.; Molitor, A.; Bolla, J. M.; Bessonov, A. N.; Winterhalter, M.; Pages, J. M. PLoS One 2009, 4 e5453
18. Pages, J. M. Med. Sci. (Paris) 2004, 20, 346-351
19. Vidal, S.; Bredin, J.; Pages, J. M.; Barbe, J. J. Med. Chem. 2005, 48, 1395-1400
20. Bezrukov, S. M.; Kullman, L.; Winterhalter, M. FEBS Lett. 2000, 476, 224-228
21. Lizondo, M.; Pons, M.; Gallardo, M.; Estelrich, J. J. Pharm. Biomed. Anal. 1997, 15, 1845-1849
22. Sun, J.; Sakai, S.; Tauchi, Y.; Deguchi, Y.; Chen, J.; Zhang, R.; Morimoto, K. Eur. J. Pharm. Biopharm. 2002, 54, 51-58
23. Neves, P.; Berkane, E.; Gameiro, P.; Winterhalter, M.; de Castro, B. Biophys. Chem. 2005, 113, 123-128
24. Mach, T.; Neves, P.; Spiga, E.; Weingart, H.; Winterhalter, M.; Ruggerone, P.; Ceccarelli, M.; Gameiro, P. J. Am. Chem. Soc. 2008, 130, 13301-13309
25. Prilipov, A.; Phale, P. S.; Van Gelder, P.; Rosenbusch, J. P.; Koebnik, R. FEMS Microbiol. Lett. 1998, 163, 65-72
26. Garavito, R. M.; Rosenbusch, J. P. Methods Enzymol. 1986, 125, 309-328
27. Montal, M.; Mueller, P. Proc. Natl. Acad. Sci. U.S.A. 1972, 69, 3561-3566
28. Hoenger, A.; Pages, J. M.; Fourel, D.; Engel, A. J. Mol. Biol. 1993, 233, 400-413
29. Danelon, C.; Brando, T.; Winterhalter, M. J. Biol. Chem. 2003, 278, 35542-35551
30. Wiechelman, K. J.; Braun, R. D.; Fitzpatrick, J. D. Anal. Biochem. 1988, 175, 231-237
31. Smith, P. K.; Krohn, R. I.; Hermanson, G. T.; Mallia, A. K.; Gartner, F. H.; Provenzano, M. D.; Fujimoto, E. K.; Goeke, N. M.; Olson, B. J.; Klenk, D. C. Anal. Biochem. 1985, 150, 76-85
32. Plancon, L.; Chami, M.; Letellier, L. J. Biol. Chem. 1997, 272, 16868-16872
33. Paternostre, M. T.; Roux, M.; Rigaud, J. L. Biochemistry 1988, 27, 2668-2677
34. Knol, J.; Sjollema, K.; Poolman, B. Biochemistry 1998, 37, 16410-16415
35. Ceccarelli, M.; Danelon, C.; Laio, A.; Parrinello, M. Biophys. J. 2004, 87, 58-64
36. Procacci, P.; Darden, T. A.; Paci, E.; Marchi, M. J. Comput. Chem. 1997, 18, 1848-1862
37. Im, W.; Roux, B. J. Mol. Biol. 2002, 319, 1177-1197
38. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179-5197
39. Robertson, K. M.; Tieleman, D. P. FEBS Lett. 2002, 528, 53-57
40. Rostovtseva, T K.; Nestorovich, E. M.; Bezrukov, S. M. Biophys. J. 2002, 82, 160-169
41. Laio, A.; Parrinello, M. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 12562-12566
42. Danelon, C.; Nestorovich, E. M.; Winterhalter, M.; Ceccarelli, M.; Bezrukov, S. M. Biophys. J. 2006, 90, 1617-1627
43. Laio, A.; Rodriguez-Fortea, A.; Gervasio, F. L.; Ceccarelli, M.; Parrinello, M. J. Phys. Chem. B 2005, 109, 6714-6721
44. Kullman, L.; Winterhalter, M.; Bezrukov, S. M. Biophys. J. 2002, 82, 803-812
45. Colquhoun, D.; Sigworth, F. J. Fitting and statistical analysis of single channel records. In Single-Channel Recording; Sakmann, B.; Neher, E., Eds.; Plenum Press: New York, 1995; pp 483 - 587.
46. Colquhoun, D.; Hawkes, A. G. Philos. Trans. R. Soc. London B: Biol. Sci. 1982, 300, 1-59
47. Horn, R.; Lange, K. Biophys. J. 1983, 43, 207-223
48. Hall, P. J. Appl. Probab. 1983, 20, 585-599
49. Beard, D. A.; Qian, H. Chemical Biophysics: Quantitative Analysis of Cellular Systems; Cambridge University Press: Cambridge, UK, 2008; Chapter 5.
50. Schwarz, G.; Danelon, C.; Winterhalter, M. Biophys. J. 2003, 84, 2990-2998
51. Sen, K.; Hellman, J.; Nikaido, H. J. Biol. Chem. 1988, 263, 1182-1187
52. Bezrukov, S. M.; Berezhkovskii, A. M.; Szabo, A. J. Chem. Phys. 2007, 127, 115101
53. Nielsen, P.; Gyrd-Hansen, N. Pharmacol. Toxicol. 1997, 80, 246-250
54. Vance-Bryan, K.; Guay, D. R.; Rotschafer, J. C. Clin. Pharmacokinet. 1990, 19, 434-461
55. Stock, J. B.; Rauch, B.; Roseman, S. J. Biol. Chem. 1977, 252, 7850-7861
56. Berezhkovskii, A. M.; Bezrukov, S. M. J. Phys.: Condens. Matter 2007, 19, 065148
57. Bernasconi, C. F.; Weisberger, A. Investigation of Rates and Mechanisms of Reactions, Part 1: General Considerations and Reactions at Conventional Rates; Wiley-Interscience: New York, 1986.
58. Hajjar, E.; Mahendran, K. R.; Kumar, A.; Bessonov, A.; Petrescu, M.; Weingart, H.; Ruggerone, P.; Winterhalter, M.; Ceccarelli, M. Biophys. J. 2010, 98, 569 - 575.
59. Neves, P.; Sousa, I.; Winterhalter, M.; Gameiro, P. J. Membr. Biol. 2009, 227, 133-140
60. Lakowicz, J. R. Principles of Fluorescence Spectroscopy; Springer Verlag: Heidelberg, Germany, 2006; Chapters 4, 10, 11.
61. Berezhkovskii, A. M.; Pustovoit, M. A.; Bezrukov, S. M. J. Chem. Phys. 2002, 116, 9952-9956