Discovery of β2 adrenergic receptor ligands using biosensor fragment screening of tagged wild-type receptor

ACS Medicinal Chemistry Letters

Volumn 4, Issue 10, 2013, Pages 1005-1010

  Aristotelous, Tonia ^a   Ahn, Seungkirl ^b   Shukla, Arun K ^b   Gawron, Sylwia ^a   Sassano, Maria F ^c   Kahsai, Alem W ^b   Wingler, Laura M ^b   Zhu, Xiao ^b   Tripathi Shukla, Prachi ^b   Huang, Xi Ping ^c   Riley, Jennifer ^a   Besnard, Jérémy ^a   Read, Kevin D ^a   Roth, Bryan L ^c   Gilbert, Ian H ^a   Hopkins, Andrew L ^a   Lefkowitz, Robert J ^b   Navratilova, Iva ^a  

^a UNIVERSITY OF DUNDEE   (United Kingdom)

^b DUKE UNIVERSITY MEDICAL CENTER   (United States)

^c UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

Fragment screening; G protein coupled receptors; surface plasmon resonance; 2 adrenoceptor

Indexed keywords

ADENOSINE A3 RECEPTOR; ALPHA 1 ADRENERGIC RECEPTOR; ALPHA 2 ADRENERGIC RECEPTOR; ALPRENOLOL; BETA 1 ADRENERGIC RECEPTOR STIMULATING AGENT; BETA 2 ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR STIMULATING AGENT; CELL MEMBRANE PROTEIN; DOPAMINE RECEPTOR; FENOTEROL; G PROTEIN COUPLED RECEPTOR; HISTAMINE H4 RECEPTOR; MEMBRANE PROTEIN; PEPTIDE FRAGMENT; SEROTONIN RECEPTOR;

ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; COMPETITIVE INHIBITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG SCREENING; HIGH THROUGHPUT SCREENING; HUMAN; LIGAND BINDING; MOLECULAR WEIGHT; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PEPTIDE LIBRARY; PRIORITY JOURNAL; PROTEIN ENGINEERING; SIGNAL NOISE RATIO; SIGNAL TRANSDUCTION; SURFACE PLASMON RESONANCE BIOSENSOR;

EID: 84885440727     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml400312j     Document Type: Article

References (25)

1. Murray, C.; Rees, D. C. The rise of fragment-based drug discovery Nat. Chem. 2009, 1, 187-192
2. Hopkins, A. L.; Groom, C. R.; Alex, A. Ligand efficiency: a useful metric for lead selection Drug Discovery Today 2004, 9, 430-431
3. 3A Bioorg. Med. Chem. Lett. 2011, 21, 5460-5464
4. 3 receptors in living cells using a fluorescence-based binding assay Chem. Biol. 2012, 19, 1105-15
5. Navratilova, I.; Hopkins, A. L. Fragment screening by surface plasmon resonance ACS Med. Chem. Lett. 2010, 1, 44-48
6. Navratilova, I.; Besnard, J.; Hopkins, A. L. Screening for GPCR ligands using surface plasmon resonance ACS Med. Chem. Lett. 2011, 2, 549-554
7. Navratilova, I.; Pancera, M.; Wyatt, R. T.; Myszka, D. G. A biosensor-based approach toward purification and crystallization of G protein-coupled receptors Anal. Biochem. 2006, 353, 278-283
8. Congreve, M.; Rich, R. L.; Myszka, D. G.; Figaroa, F.; Siegal, G.; Marshall, F. H. Fragment screening of stabilized G-protein-coupled receptors using biophysical methods Methods Enzymol. 2011, 493, 115-136
9. Chen, D.; Errey, J. C.; Heitman, L. H.; Marshall, F. H.; Ijzerman, A. P.; Siegal, G. Fragment screening of GPCRs using biophysical methods: Identification of ligands of the adenosine A(2A) receptor with novel biological activity ACS Chem. Biol. 2012, 7, 2064-2073
10. Christopher, J. A.; Brown, J.; Doré, A. S.; Errey, J. C.; Koglin, M.; Marshall, F. H.; Myszka, D. G.; Rich, R. L.; Tate, C. G.; Tehan, B.; Warne, T.; Congreve, M. Biophysical fragment screening of the β1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design J. Med. Chem. 2013, 56, 3446-3455
11. Robertson, N.; Jazayeri, A.; Errey, J.; Baig, A.; Hurrell, E.; Zhukov, A.; Langmead, C. J.; Weir, M.; Marshall, F. H. The properties of thermostabilised G protein-coupled receptors (StaRs) and their use in drug discovery Neuropharmacology 2011, 60, 36-44
12. Magnani, F.; Shibata, Y.; Serrano-Vega, M. J.; Tate, C. G. Co-evolving stability and conformational homogeneity of the human adenosine A2a receptor Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 10744-10749
13. Serrano-Vega, M. J.; Magnani, F.; Shibata, Y.; Tate, C. G. Conformational thermostabilization of the beta1-adrenergic receptor in a detergent-resistant form Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 877-882
14. Navratilova, I.; Sodroski, J.; Myszka, D. G. Solubilization, stabilization, and purification of chemokine receptors using biosensor technology Anal. Biochem. 2005, 339, 271-281
15. Navratilova, I.; Dioszegi, M.; Myszka, D. G. Analyzing ligand and small molecule binding activity of solubilized GPCRs using biosensor technology Anal. Biochem. 2006, 355, 132-139
16. Dixon, R. A.; Kobilka, B. K.; Strader, D. J.; Benovic, J. L.; Dohlman, H. G.; Frielle, T.; Bolanowski, M. A.; Bennett, C. D.; Rands, E.; Diehl, R. E.; Mumford, R. A.; Slater, E. E.; Sigal, I. S.; Caron, M. G.; Lefkowitz, R. J.; Strader, C. D. Cloning of the gene and cDNA for mammalian beta-adrenergic receptor and homology with rhodopsin Nature 1986, 321, 75-79
17. Rasmussen, S. G.; Choi, H. J.; Rosenbaum, D. M.; Kobilka, T. S.; Thian, F. S.; Edwards, P. C.; Burghammer, M.; Ratnala, V. R.; Sanishvili, R.; Fischetti, R. F.; Schertler, G. F.; Weis, W. I.; Kobilka, B. K. Crystal structure of the human beta2 adrenergic G-protein-coupled receptor Nature 2007, 450, 383-387
18. Cherezov, V.; Rosenbaum, D. M.; Hanson, M. A.; Rasmussen, S. G.; Thian, F. S.; Kobilka, T. S.; Choi, H. J.; Kuhn, P.; Weis, W. I.; Kobilka, B. K.; Stevens, R. C. High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor Science 2007, 318, 1258-1265
19. Rosenbaum, D. M.; Cherezov, V.; Hanson, M. A.; Rasmussen, S. G.; Thian, F. S.; Kobilka, T. S.; Choi, H. J.; Yao, X. J.; Weis, W. I.; Stevens, R. C.; Kobilka, B. K. GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function Science 2007, 318, 1266-1273
20. Kolb, P.; Rosenbaum, D. M.; Irwin, J. J.; Fung, J. J.; Kobilka, B. K.; Shoichet, B. K. Structure-based discovery of beta2-adrenergic receptor ligands Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 6843-6848
21. Rasmussen, S. G.; DeVree, B. T.; Zou, Y.; Kruse, A. C.; Chung, K. Y.; Kobilka, T. S.; Thian, F. S.; Chae, P. S.; Pardon, E.; Calinski, D.; Mathiesen, J. M.; Shah, S. T.; Lyons, J. A.; Caffrey, M.; Gellman, S. H.; Steyaert, J.; Skiniotis, G.; Weis, W. I.; Sunahara, R. K.; Kobilka, B. K. Crystal structure of the β2 adrenergic receptor-Gs protein complex Nature 2011, 477, 549-555
22. Kobilka, B. K. Amino and carboxyl terminal modifications to facilitate the production and purification of a G protein-coupled receptor Anal. Biochem. 1996, 231, 269-71
23. Baker, J. G. The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors Br. J. Pharmacol. 2005, 144, 317-322
24. January, B.; Seibold, A.; Whaley, B.; Hipkin, R. W.; Lin, D.; Schonbrunn, A.; Barber, R.; Clark, R. B. Beta2-adrenergic receptor desensitization, internalization, and phosphorylation in response to full and partial agonists J. Biol. Chem. 1997, 272, 23871-23879
25. Rasmussen, S. G.; Choi, H. J.; Fung, J. J.; Pardon, E.; Casarosa, P.; Chae, P. S.; Devree, B. T.; Rosenbaum, D. M.; Thian, F. S.; Kobilka, T. S.; Schnapp, A.; Konetzki, I.; Sunahara, R. K.; Gellman, S. H.; Pautsch, A.; Steyaert, J.; Weis, W. I.; Kobilka, B. K. Structure of a nanobody-stabilized active state of the β2 adrenoceptor Nature 2011, 469, 175-180