光谱学与光谱分析 |
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Recent Progress in Nuclear Magnetic Resonance Spectrum for Drug Research and Development |
ZHONG Jun, JIANG Xue-mei* |
Key Laboratory of Biorheological Science and Technology, Ministry of Education, College of Bioengineering, Chongqing University, Chongqing 400030, China |
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Abstract In the process of modern drug research, the new methods and technologies which can detect drug molecules’ chemical composition, structure and interaction with biomolecules are always the key scientific problems people care about. Spectra (including IR, UV and NMR) are the most common analytical methods, of which NMR can obtain detailed parameter about the nucleus of organic molecules through researching the laws of nuclear transition in the impact of surrounding chemical environment. The parameter contains rich information about the chemical composition, structure and interaction with other molecules of organic molecules. In many complex environments, such as liquid, solid or gas state, even biological in situ environment, NMR can provide molecules’ chemical composition, atomic-resolution three-dimensional structure, information of interaction with each other and dynamic process, especially the information about drug interacting with biomacromolecules. In recent years, the applications of nuclear magnetic resonance spectrum in drug research and development are more and more widespread. This paper reviewed its recent progress in structure and dynamic of targeted biological macromolecules, drug design and screening and drug metabolism in drug research and development. In the first part, we gave a brief introduction of nuclear magnetic resonance technology and its applications in drug research. In the second part, we explained the basic principles briefly and summarized progress in methods and techniques for drug research. In the third part, we discussed applications of nuclear magnetic resonance in structure and dynamic of targeted biological macromolecules, drug design and screening and drug metabolism in detail. The conclusions were stated in the last part.
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Received: 2013-12-16
Accepted: 2014-03-24
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Corresponding Authors:
JIANG Xue-mei
E-mail: jiangxuemei@cqu.edu.cn
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[1] Williamson M P,Havel T F,Wuthrich K. J. Mol. Biol.,1985,182:295. [2] Frank A T,Horowitz S,Andricioaei I,et al. J . Phys. Chem. B,2013,117:2045. [3] McDermott A. Annu. Rev. Biophys.,2009,38:385. [4] Pellecchia M,Bertini I,Cowburn D,et al. Nat. Rev. Drug. Discov.,2008,7:738. [5] Coen M,Holmes E,Lindon J C,et al. Chem. Res. Toxicol.,2008,21:9. [6] Ward J L,Baker J M,Beale M H. Fedoration of European Biochenlical Societies Journal,2007,274:1126. [7] Helgaker J, Jaszunski M, Rund K. Chemical Reviews, 1999, 99: 293. [8] Tjandra N,Bax A. Science,1997,278:1697. [9] Tolman J R,Flanagan J M,Kennedy M A,et al. Proc. Natl. Acad. Sci. USA,1995,92:9279. [10] Pervushin K,Riek R,Wider G,et al. Proceedings of the National Academy of Sciences of the United States of America,1997,94:12366. [11] Goldman M. Journal of Magnetic Resonance(1969),1984,60:437. [12] Riek R,Wider G,Pervushin K,et al. Proc. Natl. Acad. Sci. USA,1999,96:4918. [13] Takahashi H,Nakanishi T,Kami K,et al. Nat. Struct. Biol.,2000,7:220. [14] Castellani F,van Rossum B,Diehl A,et al. Nature,2002,420:98. [15] Barbieri R,Luchinat C,Parigi G. Chemphyschem,2004,5:797. [16] Bertini I,Luchinat C,Piccioli M. Methods Enzymol,2001,339:314. [17] Tang C,Schwieters C D,Clore G M. Nature,2007,449:1078. [18] Korzhnev D M,Salvatella X,Vendruscolo M,et al. Nature,2004,430:586. [19] Ding X,Zhao X,Watts A. Biochemical Journal,2013,450:443. [20] Fox D A,Columbus L. Biophysical Journal,2013,104:179A. [21] Tochio H. Curr. Opin. Chem. Biol.,2012,16:609. [22] van der Werf R M,Tessari MWijmenga S S. Journal of Biomolecular NMR,2013,56:95. [23] Karsisiotis A,Ida Silva M W. Molecules,2012,17:13073. [24] Renault M,Garcia J,Cordeiro T N,et al. Fedoration of European Biochenlical Societies Journal,2013,280:2916. [25] Fadeev E A,Sam M D,Clubb R T. Journal of Molecular Biology,2009,388:682. [26] Wallin Evon Heijne G. Protein Sci.,1998,7:1029. [27] Hopkins A L,Groom C R. Nat. Rev. Drug. Discov.,2002,1:727. [28] Kang C,Li Q. Curr. Opin. Chem. Biol.,2011,15:560. [29] Andronesi O C,Becker S,Seidel K,et al. J. Am. Chem. Soc.,2005,127:12965. [30] Kim H J,Howell S C,Van Horn W D,et al. Prog. Nucl. Magn. Reson. Spectrosc.,2009,55:335. [31] Bockmann A. Angew. Chem. Int. Ed. Engl.,2008,47:6110. [32] Su Y,Waring A J,Ruchala P,et al. Biochemistry,2010,49:6009. [33] Shahid S A,Bardiaux B,Franks W T,et al. Nat. Methods,2012,9:1212. [34] Renault M,Garcia J,Cordeiro T N,et al. Fedoration of European Biochenlical Societies Journal,2013,280:2916. [35] Shi L,Ahmed M A,Zhang W,et al. J. Mol. Biol.,2009,386:1078. [36] Reif B J. Magn. Reson.,2012,216:1. [37] Loquet A,Gardiennet C, Bckmann A. Comptes. Rendus. Chimie.,2010,13:423. [38] Lewandowski J R,De Paepe GGriffin R G. Journal of the American Chemical Society,2007,129:728. [39] De Paepe G,Lewandowski J R,Loquet A,et al. Journal of Chemical Physics,2008, 129. [40] Lange A,Luca S,Baldus M. J. Am. Chem. Soc.,2008,127:124503. [41] Lange A,Seidel K,Verdier L,et al. J. Am. Chem. Soc.,2003,125 :12640. [42] Heise H,Seidel K,Etzkorn M,et al. J. Magn. Reson.,2005,173:64. [43] Gbl C,Tjandra N. Entropy,2012,14:581. [44] Jarymowycz V A,Stone M. J. Chem. Rev.,2006,106:1624. [45] Jarymowycz V A,Stone M J. Chemical Reviews,2006,106:1624. [46] Lummis S C,Beene D L,Lee L W,et al. Nature,2005,438:248. [47] Cook G A,Opella S J .Biochim Biophys Acta,2011 ,1808 :1448. [48] Shuker S B,Hajduk P J,Meadows R P,et al. Science,1996,274:1531. [49] Lepre C A,Moore J M,Peng J W. Chem. Rev.,2004,104:3641. [50] Lopez J J,Shukla A K,Reinhart C,et al. Angew. Chem. Int. Ed. Engl.,2008,47:1668. [51] Orcajo-Rincoon A N L,Ortega-Gutierrez S,Serrano P,et al. Journal of Medicinal Chemistry,2011,54:1096. [52] Itoh S,Kim H W,Nakagawa O,et al. Journal of Biological Chemistry,2008,283:9157. [53] Arnesano F,Banci L,Bertini I,et al. Journal of the American Chemical Society,2011,133:18361. [54] Sakai T,Tochio H,Tenno T,et al. Journal of Biomolecular Nmr,2006,36:179. [55] Selenko P,Serber Z,Gadea B,et al. Proc. Natl. Acad. Sci. USA,2006,103:11904. [56] Bodart J F,Wieruszeski J M,Amniai L,et al. J. Magn. Reson.,2008,192:252. [57] Ohno A,Inomata K,Tochio H,et al. Current Topics in Medicinal Chemistry,2011,11:68. [58] Ogino S,Kubo S,Umemoto R,et al. Journal of the American Chemical Society,2009,131:10834. [59] Tang H R,Wang Y L. Progress in Biochemistry and Biophysics,2006,33:401. [60] Pawar B,Kanyalkar M,Srivastava S. Biochimica et Biophysica Acta(BBA)-Biomembranes,2010,1798:2067. [61] McLoughlin G A,Ma D,Tsang T M,et al. Journal of Proteome Research,2009,8:1943. [62] Szczeciński P,Lamparska D,Gryff-Keller A,et al. Acta Biochimica Polonica,2008,55:749. |
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