Identification and Validation Novel of VIM-2 Metallo-β-lactamase Tripeptide Inhibitors

Molecular Informatics

Volumn 34, Issue 8, 2015, Pages 559-567

  Xiao, Jing ^a   Fang, Mi ^a   Shi, Yun ^a   Chen, Hui ^a   Shen, Bingzhen ^a   Chen, Jiao ^a   Lao, Xingzhen ^a   Xu, Hanmei ^a   Zheng, Heng ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

Bacterial resistance; Docking; Pharmacophore hypothesis; Tripeptide inhibitors; VIM 2 metallo lactamase

Indexed keywords

BETA LACTAMASE INHIBITOR; UNCLASSIFIED DRUG; VIM 2 METALLO BETA LACTAMASE TRIPEPTIDE INHIBITOR; BACTERIAL PROTEIN; BETA LACTAMASE; OLIGOPEPTIDE; VIM-2 BETA-LACTAMASE;

ARTICLE; BINDING AFFINITY; DRUG IDENTIFICATION; DRUG SCREENING; IC50; IN VITRO STUDY; MOLECULAR DOCKING; PHARMACOPHORE; PRIORITY JOURNAL; ANTAGONISTS AND INHIBITORS; CHEMISTRY;

BACTERIA (MICROORGANISMS);

BACTERIAL PROTEINS; BETA-LACTAMASE INHIBITORS; BETA-LACTAMASES; MOLECULAR DOCKING SIMULATION; OLIGOPEPTIDES;

EID: 84939272105     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201400178     Document Type: Article

References (47)

1. Y. Alexandre, G. Le Blay, S. Boisramé-Gastrin, F. L. Gall, G. Héry-Arnaud, S. Gouriou, S. Vallet, R. L. Berre, Médecine. Et. Maladies. Infectieuses 2014, 44, 9-17.
2. R. Santiso, M. Tamayo, J. Gosálvez, G. Bou, C. M. Fernández, J. L. Fernández, BMC Microbiol. 2011, 11, 191-205.
3. J. Chen, X. Shang, F. Hu, X. Lao, X. Gao, H. Zheng, Mini-Rev. Med. Chem. 2013, 13, 1846-1861.
4. L. Olsen, I. Pettersson, L. Hemmingsen, H-W. Adolph, F. S. Jørgensen, J. Comp-Aided Mol. Des. 2004, 18, 287-302.
5. L. Olsen, S. Jost, H. Adolph, I. Pettersson, L. Hemmingsene, F. S. Jørgensena, Bioorg. Med. Chem. 2006, 14, 2627-2635
6. M. Widmann, J. Pleiss, P. Oelschlaeger, Antimicrob. Agents. Chemother. 2012, 56, 3481-3491.
7. R. P.B. Ambler, Philos. Trans. Roy. Soc. London B 1980, 289, 321-331.
8. A. Felici, G. Amicosante, A. Oratore, R. Strom, P. Ledent, B. Joris, L. Fanuel, J. M. Frère, Biochem. J. 1993, 291, 151-155.
9. J. Chen, R. Yu, B. Shen, Y. Xu, Y. Liu, H. Zheng, W. Yao, Med. Chem. Res. 2013, 22, 1730-1739.
10. G. M. Rossolini, J. D. Docquier, Class B β-lactamases, Washington, DC, 2007, p. 115-144.
11. K. Jeannot, N. Guessennd, D. Fournier, E. Müller, V. Gbonon, P. Plésiat, J. Antimicrob. Chemother. 2013, 68, 2952-2954
12. A. K. Van der Bij, R. Van Mansfeld, G. Peirano, W. H. F. Goessens, J. A. Severin, J. D. D. Pitout, R. Willems, M. Van Westreenen, Int. J. Antimicrob. Agents 2011, 37, 513-518.
13. R. K. Jacobson, N. Minenza, M. Nicol, C. Bamford, J. Antimicrob. Chemother. 2012, 67, 1797-1798.
14. M. N. Almuzara, C. M. Barberis, C. H. Rodríguez, A. M. Famiglietti, M. S. Ramirez, C. A. Vay, J. Clin. Microbiol. 2012, 50, 2830-2832.
15. A. K. Van der Bij, D. Van der Zwan, G. Peirano, J. A. Severin, J. D. D. Pitout, M. Van Westreenen, W. H. F. Goessens, Clin. Microbiol. Infect. 2012, 18, E 369 -E 372.
16. L. Borgianni, J. Vandenameele, A. Matagne, L Bini, R. A. Bonomo, J-M. Frère, G. M. Rossolini, J.-D. Docquier, Antimicrob. Agents Chemother. 2010, 54, 3197-3204.
17. N. O. Concha, C. A. Janson, P. Rowling, S. Pearson, C. A. Cheever, B. P. Clarke, C. Lewis, M. Galleni, J.-M. Frère, D. J. Payne, J. H. Bateson, S. S. Abdel-Meguid, Biochemistry 2000, 39, 4288-4298.
18. N. O. Concha, B. A. Rasmussen, K. Bush, O. Herzberg, Structure 1996, 4, 823-836.
19. Y. Yamaguchi, W. Jin, K. Matsunaga, K. Matsunaga, J. Med. Chem. 2007, 50, 6647-6653.
20. M. Floris, S. Moro, Mol. Inf. 2012, 31, 12-20.
21. P. Zhou, C. Wang, Y. Ren, F. Tian, Curr. Med. Chem. 2013, 20, 1985-1996.
22. A. K. Singh, R. Singh, F. Naz, S. S. Chauhan, A. Dinda, A. A. Shukla, K. Gill, V. Kapoor, S. Dey, PLoS. One 2012, 7, e 32521.
23. L. Diao, B. Meibohm, Clin. Pharmacokinet. 2013, 52, 855-868.
24. K. K. Kumarasamy, M. A. Toleman, T. R. Walsh, J. Bagaria, F. Butt, R. Balakrishnan, U. Chaudhary, M. Doumith, C. G. Giske, S. Irfan, P. Krishnan, A. V. Kumar, S. Maharjan, S. Mushtaq, T. Noorie, D. L. Paterson, A. Pearson, C. Perry, R. Pike, B. Rao, U. Ray, J. B. Sarma, M. Sharma, E. Sheridan, M. A. Thirunarayan, J. Turton, S. Upadhyay, M. Warner, W. Welfare, D. M. Livermore, N. Woodford, Lancet Infect. Dis. 2010, 10, 597-602.
25. Q. Sun, A. Law, M. W. Crowder, H. M. Geysen, Bioorg. Med. Chem. Lett. 2006, 16, 5169-5175.
26. S. Bounaga, M. Galleni, A. P. Laws, M. I. Page, Bioorg. Med. Chem. 2001, 9, 503-510.
27. D. T. King, L. J. Worrall, R. Gruninger, N. C.J. Strynadka, J. Am. Chem. Soc. 2012, 134, 11362-11365.
28. T. Weide, S. A. Saldanha, D. Minond, T. P. Spicer, J. R. Fotsing, M. Spaargaren, J. Frère, C. Bebrone, K. B. Sharpless, P. S. Hodder, V. V. Fokin, ACS Med. Chem. Lett. 2010, 1, 150-154.
29. K. Chikauchi, M. Ida, T. Abe, Y. Hiraiwa, A. Morinaka, T. Kudo, US Pat. US 2008/0090825 A1, 2008, April 17.
30. W. Jin, Y. Arakawa, H. Yasuzawa, T. Taki, R. Hashiguchi, K. Mitsutani, A. Shoga, Y. Yamaguchi, H. Kurosaki, N. Shibata, M. Ohta, M. Goto, Biol. Pharm. Bull. 2004, 27, 851-856.
31. D. Minond, S. A. Saldanha, T. Spicer, L. Qin, B. A. Mercer, W. R. Roush, P. Hodder, Probe Reports from the NIH Molecular Libraries Program, 2009
32. S. Siemann, D. P. Evanoff, L. Marrone, A. J. Clarke, T. Viswanatha, G. I. Dmitrienko, Antimicrob. Agents Chemother. 2002, 46, 2450-2457.
33. S. R. Ganta, S. Perumal, S. R. Pagadala, O. Samuelsen, J. Spencer, R. F. Pratt, J. D. Buynak, Bioorg. Med. Chem. Lett. 2009, 19, 1618-1622.
34. B. Courcot, A. J. Bridgeman, Comput. Chem. 2011, 32, 3143-3153.
35. J. Chen, Y. Liu, T. Cheng, X. Lao, X. Gao, H. Zheng, W. Yao, Med. Chem. Res. 2013, 1-10.
36. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, Eur. J. Med. Chem. 2011, 46, 2469-2476.
37. S. Thangapandian, S. John, S. Sakkiah, K. W. Lee, Eur. J. Med. Chem. 2010, 45, 4409-4417.
38. S. Sakkiah, V. Arullaperumal, S. Hwang, K. W. Lee, J. Enzyme. Inhib. Med. Chem. 2014, 29, 69-80
39. G. Jones, P. Willett, R. C. Glen, A. R. Leach, R. Taylor, J. Mol. Biol. 1997, 267, 727-748
40. P. Labute, J. Comp. Chem. 2008, 29, 1963-1968.
41. Molecular Operating Environment (MOE), 2009,10, Chemical Computing Group Inc., 1010 Sherbooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2009.
42. J. S. James, J. M. Anderson, H. Shadnia, T. Durst, J. A. Katzenellenbogen, Comput. Aided. Mol. Des. 2013, 27, 707-721.
43. B. Shen, Y. Yu, H. Chen, X. Cao, X. Lao, Y. Fang, Y. Shi, J. Chen, H. Zheng, PloS One 2013, 8, e 62955.
44. N. Lstski, N. Franceschini, G. Moreno, P. Santucci, C. Meunier, E. De Pauw, G. Amicosante, J. M. Frère, M. Galleni, Antimicrob. Agents Chemother. 1999, 43, 902-906.
45. H. Kubinyi, Computer Applications in Pharmaceutical Research and Development, Wiley, Hoboken, NJ, 2006, pp. 377-424.
46. G. Mustata, A. V. Follis, D. I. Hammoudeh, S. J. Metallo, H. Wang, E. V. Prochownik, J. S. Lazo, I. Bahar, J. Med. Chem. 2009, 52, 1247-1250.
47. F. Caporuscio, A. Tafi, Curr. Med. Chem. 2011, 18, 2543-2553.