Structure and dynamics of the full-length M1 muscarinic acetylcholine receptor studied by molecular dynamics simulations

Archives of Biochemistry and Biophysics

Volumn 469, Issue 1, 2008, Pages 142-150

  Espinoza Fonseca, L Michel ^a   Pedretti, Alessandro ^b   Vistoli, Giulio ^b  

^a UNIVERSITY OF MINNESOTA   (United States)

^b UNIVERSITY OF MILAN   (Italy)

Author keywords

Acetylcholine receptor; Alzheimer's disease; G protein coupled proteins; Molecular dynamics simulations; Muscarinic M1 receptor

Indexed keywords

ACETYLCHOLINE; CHOLINERGIC RECEPTOR; MUSCARINIC M1 RECEPTOR; RHODOPSIN;

ALZHEIMER DISEASE; ARTICLE; BINDING SITE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN FUNCTION; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; PROTEOMICS; SIMULATION; STRUCTURE ANALYSIS;

HYDROGEN BONDING; PROTEIN CONFORMATION; RECEPTOR, MUSCARINIC M1; X-RAY DIFFRACTION;

EID: 36749006143     PISSN: 00039861     EISSN: 10960384     Source Type: Journal    
DOI: 10.1016/j.abb.2007.09.002     Document Type: Article

References (45)

1. Eglen R.M. Prog. Med. Chem. 43 (2005) 105-136
2. Wess J. Trends Pharmacol. Sci. 24 (2003) 414-420
3. Chess-Williams R., Chapple C.R., Yamanishi T., Yasuda K., and Sellers D.J. J. Auton. Pharmacol. 21 (2001) 243-248
4. Fetscher C., Fleichman M., Schmidt M., Krege S., and Michel M.C. Br. J. Pharmacol. 136 (2002) 641-643
5. Volpicelli L.A., and Levey A.I. Prog. Brain. Res. 145 (2004) 59-66
6. Abrams P., Andersson K.E., Buccafusco J.J., Chapple C., de Groat W.C., Fryer A.D., Kay G., Laties A., Nathanson N.M., Pasricha P.J., and Wein A.J. Br. J. Pharmacol. 148 (2006) 565-578
7. Anagnostaras S.G., Murphy G.G., Hamilton S.E., Mitchell S.L., Rahnama N.P., Nathanson N.M., and Silva A.J. Nat. Neurosci. 6 (2003) 51-58
8. Fisher A., Pittel Z., Haring R., Bar-Ner N., Kliger-Spatz M., Natan N., Egozi I., Sonego H., Marcovitch I., and Brandeis R. J. Mol. Neurosci. 20 (2003) 349-356
9. Messer Jr. W.S., Bohnett M., and Stibbe J. Neurosci. Lett. 116 (1990) 184-189
10. Perry E.K., Kilford L., Lees A.J., Burn D.J., and Perry R.H. Ann. Neurol. 54 (2003) 235-238
11. Fisher A. Jpn. J. Pharmacol. 84 (2000) 1010-1112
12. Korczyn A.D. Expert. Opin. Invest. Drug. 9 (2000) 2259-2267
13. Vamvakidès A. Ann. Pharm. Fr. 61 (2003) 207-210
14. Lu Z.L., and Hulme EC. J. Biol. Chem. 275 (2000) 5682-5686
15. Hulme E.C., Lu Z.L., Bee M., Curtis C.A., and Saldanha J. Life Sci. 68 (2001) 2495-2500
16. Lu Z.L., Saldanha J.W., and Hulme E.C. J. Biol. Chem. 276 (2001) 34098-34104
17. Hulme E.C., Lu Z.L., Saldanha J.W., and Bee M.S. Biochem. Soc. Trans. 31 (2003) 29-34
18. Hulme E.C., Lu Z.L., and Bee MS. Recept. Channels 9 (2003) 215-228
19. Pedretti A., Vistoli G., Marconi C., and Testa B. Chem. Biodiv. 3 (2006) 481-501
20. Peng J.Y., Vaidehi N., Hall S.E., and Goddard III W.A. ChemMedChem 1 (2006) 878-890
21. Espinoza-Fonseca L.M., and Trujillo-Ferrara J.G. FEBS Lett. 579 (2006) 6726-6732
22. Espinoza-Fonseca L.M., and Trujillo-Ferrara J.G. Bioorg. Med. Chem. Lett. 16 (2006) 1217-1220
23. Pedretti A., Villa M., Pallavicini M., Valoti E., and Vistoli G. J. Med. Chem. 49 (2006) 3077-3085
24. Pedretti A., Villa L., and Vistoli G. J. Mol. Graph. 21 (2002) 47-49
25. Humphrey W., Dalke A., and Schulten K. J. Mol. Graphics 14 (1996) 33-38
26. MacKerell Jr. A.D., Bashford D., Bellott M., Dunbrack Jr. R.L., Evanseck J.D., Field M.J., Fischer S., Gao J., Guo H., Ha S., Joseph-McCarthy D., Kuchnir L., Kuczera K., Lau F.T.K., Mattos C., Michnick S., Ngo T., Nguyen D.T., Prodhom B., Reiher III W.E., Roux B., Schlenkrich M., Smith J.C., Stote R., Straub J., Watanabe M., Wiorkiewicz-Kuczera J., Yin D., and Karplus M. J. Phys. Chem. B 102 (1998) 3586-3616
27. MacKerell Jr. A.D., Feig M., and Brooks III C.L. J. Comput. Chem. 25 (2004) 1400-1415
28. Phillips J.C., Braun R., Wang W., Gumbart J., Tajkhorshid E., Villa E., Chipot C., Skeel R.D., Kale L., and Schulten K. J. Comput. Chem. 26 (2005) 1781-1802
29. Darden T., York D., and Pedersen L. J. Chem. Phys. 98 (1993) 10089-10092
30. Essmann U., Perera L., and Berkowitz M.L. J. Chem. Phys. 103 (1995) 8577-8593
31. Morris G.M., Goodsell D.S., Halliday R.S., Huey R., Hart W.E., Belew R.K., and Olson A.J. J. Comput. Chem. 19 (1998) 1639-1662
32. Ichiyama S., Oka Y., Haga K., Kojima S., Tateishi Y., Shirakawa M., and Haga T. FEBS Lett. 580 (2006) 23-26
33. Shepherd C.M., van der Spoel D., and Vogel H.J. J. Biomol. Struct. Dyn. 21 (2004) 555-566
34. Ward S.D., Curtis C.A., and Hulme E.C. Mol. Pharmacol. 56 (1999) 1031-1041
35. Harel M., Schalk I., Ehret-Sabatier L., Bouet F., Goeldner M., Hirth C., Axelsen P.H., Silman I., and Sussman J.L. Proc. Natl. Acad. Sci. USA 91 (1993) 9031-9035
36. Brejc K., van Dijk W.J., Klaassen R.V., Schuurmans M., van Der Oost J., Smit A.B., and Sixma T.K. Nature 411 (2001) 269-276
37. Lu Z.L., and Hulme E.C. J. Biol. Chem. 274 (1999) 7309-7315
38. Allman K., Page K.M., Curtis C.A., and Hulme E.C. Mol. Pharmacol. 58 (2000) 175-184
39. Furukawa H., Hamada T., Hayashi M.K., Haga T., Muto Y., Hirota H., Yokoyama S., Nagasawa K., and Ishiguro M. Mol. Pharmacol. 62 (2002) 778-787
40. Vistoli G., Pedretti A., Testa B., and Matucci R. Arch. Biochem. Biophys. 464 (2007) 112-121
41. Fraser C.M., Wang C.D., Robinson D.A., Gocayne J.D., and Venter J.C. Mol. Pharmacol. 36 (1989) 840-847
42. Huang X.P., Nagy P.I., Williams F.E., Peseckis S.M., and Messer Jr. W.S. Br. J. Pharmacol. 126 (1999) 735-745
43. Palczewski K., Kumasaka T., Hori T., Behnke C.A., Motoshima H., Fox B.A., Le Trong I., Teller D.C., Okada T., Stenkamp R.E., Yamamoto M., and Miyano M. Science 289 (2000) 739-745
44. Floresca C.Z., Chen S., Kortagere S., and Schetz J.A. Arch. Pharm. 338 (2005) 268-275
45. Gervasio F.L., Chelli R., Procacci P., and Schettino V. Proteins 48 (2002) 117-125