Structural insights into transient receptor potential vanilloid type 1 (TRPV1) from homology modeling, flexible docking, and mutational studies

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 4, 2011, Pages 317-327

  Lee, Jin Hee ^a   Lee, Yoonji ^a   Ryu, Hyungchul ^b   Kang, Dong Wook ^b   Lee, Jeewoo ^b   Lazar, Jozsef ^c   Pearce, Larry V ^c   Pavlyukovets, Vladimir A ^c   Blumberg, Peter M ^c   Choi, Sun ^a  

^a Ewha Womans University   (South Korea)

^b Seoul National University   (South Korea)

^c NATIONAL CANCER INSTITUTE   (United States)

Author keywords

Capsaicin; Docking; Homology modeling; Mutation; Resiniferatoxin (RTX); Transient receptor potential vanilloid type 1 (TRPV1)

Indexed keywords

BINDING ENERGY; POWER QUALITY; RESINS; TRANSIENTS;

CAPSAICIN; DOCKING; FLEXIBLE DOCKING; HOMOLOGY MODELING; MUTATION; RESINIFERATOXIN; STRUCTURAL INSIGHTS; TRANSIENT RECEPTOR POTENTIAL VANILLOID; TRANSIENT RECEPTOR POTENTIAL VANILLOID TYPE 1;

LIGANDS;

CALCIUM; CAPSAICIN; RESINIFERATOXIN; VANILLOID RECEPTOR 1;

ANIMAL CELL; ARTICLE; BINDING AFFINITY; BINDING ASSAY; CALCIUM TRANSPORT; COMPUTER MODEL; CONTROLLED STUDY; FEMALE; GENETIC ALGORITHM; HAMSTER; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR MODEL; MOLECULAR RECOGNITION; MUTATIONAL ANALYSIS; NONHUMAN; NUCLEOTIDE SEQUENCE; PREDICTION; PRIORITY JOURNAL; STRUCTURAL HOMOLOGY; STRUCTURE ANALYSIS;

EID: 79956220949     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9421-5     Document Type: Article

References (27)

1. K Alawi J Keeble 2010 The paradoxical role of the transient receptor potential vanilloid 1 receptor in inflammation Pharmacol Ther 125 181 195 10.1016/j.pharmthera.2009.10.005 1:CAS:528:DC%2BC3cXitVKjsbg%3D
2. A Szallasi PM Blumberg 1999 Vanilloid (Capsaicin) receptors and mechanisms Pharmacol Rev 51 159 212 1:CAS:528:DC%2BD3cXnslChtr8%3D
3. GY Wong NR Gavva 2009 Therapeutic potential of vanilloid receptor TRPV1 agonists and antagonists as analgesics: recent advances and setbacks Brain Res Rev 60 267 277 10.1016/j.brainresrev.2008.12.006 1:CAS:528:DC%2BD1MXktV2nsb0%3D
4. A Szallasi DN Cortright CA Blum SR Eid 2007 The vanilloid receptor TRPV1: 10 years from channel cloning to antagonist proof-of-concept Nat Rev Drug Discov 6 357 372 10.1038/nrd2280 1:CAS:528:DC%2BD2sXkslyiu7Y%3D (Pubitemid 46705200)
5. J Lazar L Gharat N Khairathkar-Joshi PM Blumberg A Szallasi 2009 Screening TRPV1 antagonists for the treatment of pain: lessons learned over a decade Expert Opinion Drug Discov 4 159 180 10.1517/17460440802681300 1:CAS:528:DC%2BD1MXkslKhtLg%3D
6. MJ Gunthorpe BA Chizh 2009 Clinical development of TRPV1 antagonists: targeting a pivotal point in the pain pathway Drug Discov Today 14 56 67 10.1016/j.drudis.2008.11.005 1:CAS:528:DC%2BD1MXktVShsA%3D%3D
7. G Appendino A Szallasi 1997 Euphorbium: modern research on its active principle, resiniferatoxin, revives an ancient medicine Life Sci 60 681 696 10.1016/S0024-3205(96)00567-X 1:CAS:528:DyaK2sXhtlWnsr4%3D (Pubitemid 27087261)
8. AB Szallasi PM Blumberg 1989 Resiniferatoxin, a phorbol-related diterpene, acts as an ultrapotent analog of capsaicin, the irritant constituent in red pepper Neuroscience 30 515 520 10.1016/0306-4522(89)90269-8 1:CAS:528:DyaL1MXlsVyhs7o%3D (Pubitemid 19168499)
9. J Lee M Kang M Shin JM Kim SU Kang JO Lim HK Choi YG Suh HG Park U Oh HD Kim YH Park HJ Ha YH Kim A Toth Y Wang R Tran LV Pearce DJ Lundberg PM Blumberg 2003 N-(3-acyloxy-2-benzylpropyl)-N-[4-(methylsulfonylamino)benzyl]thiourea analogues: novel potent and high affinity antagonists and partial antagonists of the vanilloid receptor J Med Chem 46 3116 3126 10.1021/jm030089u 1:CAS:528:DC%2BD3sXktFSqsro%3D (Pubitemid 36775932)
10. J Lee J Kim SY Kim MW Chun H Cho SW Hwang U Oh YH Park VE Marquez M Beheshti T Szabo PM Blumberg 2001 N-(3-Acyloxy-2-benzylpropyl)-N-(4-hydroxy-3- methoxybenzyl) thiourea derivatives as potent vanilloid receptor agonists and analgesics Bioorg Med Chem 9 19 32 10.1016/S0968-0896(00)00216-9 1:CAS:528:DC%2BD3cXovFeisL8%3D (Pubitemid 32007960)
11. N Kedei T Szabo JD Lile JJ Treanor Z Olah MJ Iadarola PM Blumberg 2001 Analysis of the native quaternary structure of vanilloid receptor 1 J Biol Chem 276 28613 28619 10.1074/jbc.M103272200 1:CAS:528:DC%2BD3MXls1Srur0%3D
12. C Harteneck TD Plant G Schultz 2000 From worm to man: three subfamilies of TRP channels Trends Neurosci 23 159 166 10.1016/S0166-2236(99)01532-5 1:CAS:528:DC%2BD3cXhvVOltLg%3D (Pubitemid 30151212)
13. VY Moiseenkova-Bell LA Stanciu II Serysheva BJ Tobe TG Wensel 2008 Structure of TRPV1 channel revealed by electron cryomicroscopy Proc Natl Acad Sci USA 105 7451 7455 10.1073/pnas.0711835105 1:CAS:528:DC%2BD1cXmvFCrs74%3D (Pubitemid 351830038)
14. SE Jordt D Julius 2002 Molecular basis for species-specific sensitivity to "hot" chili peppers Cell 108 421 430 10.1016/S0092-8674(02)00637-2 1:CAS:528:DC%2BD38XhsVSksbY%3D (Pubitemid 34178405)
15. NR Gavva L Klionsky Y Qu L Shi R Tamir S Edenson TJ Zhang VN Viswanadhan A Toth LV Pearce TW Vanderah F Porreca PM Blumberg J Lile Y Sun K Wild JC Louis JJ Treanor 2004 Molecular determinants of vanilloid sensitivity in TRPV1 J Biol Chem 279 20283 20295 10.1074/jbc.M312577200 1:CAS:528:DC%2BD2cXjs1Whurc%3D (Pubitemid 38623474)
16. MZ Chou T Mtui YD Gao M Kohler RE Middleton 2004 Resiniferatoxin binds to the capsaicin receptor (TRPV1) near the extracellular side of the S4 transmembrane domain Biochemistry 43 2501 2511 10.1021/bi035981h 1:CAS:528:DC%2BD2cXhtVGiu7k%3D (Pubitemid 38327845)
17. JD Thompson DG Higgins TJ Gibson 1994 CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice Nucleic Acids Res 22 4673 4680 10.1093/nar/22.22.4673 1:CAS:528:DyaK2MXitlSgu74%3D (Pubitemid 24354800)
18. ExPASy Proteomics Server. http://www.expasy.org/tools/
19. M Feig CL Brooks III 2004 Recent advances in the development and application of implicit solvent models in biomolecule simulations Curr Opin Struct Biol 14 217 224 10.1016/j.sbi.2004.03.009 1:CAS:528:DC%2BD2cXjt1Cmt7c%3D (Pubitemid 38495800)
20. SAVES. http://nihserver.mbi.ucla.edu/SAVS/
21. S Brauchi G Orta C Mascayano M Salazar N Raddatz H Urbina E Rosenmann F Gonzalez-Nilo R Latorre 2007 Dissection of the components for PIP2 activation and thermosensation in TRP channels Proc Natl Acad Sci USA 104 10246 10251 10.1073/pnas.0703420104 1:CAS:528:DC%2BD2sXmvVCms7g%3D (Pubitemid 47175294)
22. Accelrys Software Inc (2009) Discovery studio modeling environment, release 2.5. Accelrys Software Inc., San Diego
23. + channel in a lipid membrane-like environment Nature 450 376 382 10.1038/nature06265 1:CAS:528:DC%2BD2sXhtlajs7%2FN (Pubitemid 350126743)
24. RA Laskowski JA Rullmannn MW MacArthur R Kaptein JM Thornton 1996 AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR J Biomol NMR 8 477 486 10.1007/BF00228148 1:CAS:528:DyaK2sXlvVSnsw%3D%3D (Pubitemid 126706801)
25. C Colovos TO Yeates 1993 Verification of protein structures: patterns of nonbonded atomic interactions Protein Sci 2 1511 1519 10.1002/pro.5560020916 1:CAS:528:DyaK2cXhvVKltbk%3D (Pubitemid 23262844)
26. M Tominaga T Tominaga 2005 Structure and function of TRPV1 Pflugers Arch 451 143 150 10.1007/s00424-005-1457-8 1:CAS:528:DC%2BD2MXhtVKqu7rE (Pubitemid 41424917)
27. SJ Christopher RW Walpole B Stuart AC Elizabeth D Andy FJ Iain JM Kay NP Martin W Janet 1993 Analogues of capsaicin with agonist activity as novel analgesic agents; structure-activity studies. 3. The hydrophobic side-chain "C-region" J Med Chem 36 2381 2389 10.1021/jm00068a016