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Items: 1 to 50 of 64

1.

Pharmacology and function of the orphan GPR139 G protein-coupled receptor.

Vedel L, Nøhr AC, Gloriam DE, Bräuner-Osborne H.

Basic Clin Pharmacol Toxicol. 2019 May 27. doi: 10.1111/bcpt.13263. [Epub ahead of print]

PMID:
31132229
2.

Five-membered N-heterocyclic Scaffolds as Novel Amino Bioisosteres at -Aminobutyric Acid (GABA) Type A Receptors and GABA Transporters.

Giraudo A, Krall J, Bavo F, Nielsen B, Kongstad KT, Rolando B, De Blasio R, Gloriam DE, Löffler R, Thiesen L, Harpsøe K, Frydenvang K, Boschi D, Wellendorph P, Lolli ML, Jensen A, Frølund B.

J Med Chem. 2019 May 22. doi: 10.1021/acs.jmedchem.9b00026. [Epub ahead of print]

PMID:
31117514
3.

Identification of a novel scaffold for a small molecule GPR139 receptor agonist.

Nøhr AC, Shehata MA, Palmer D, Pokhrel R, Vallianou M, Foster SR, Gentry PR, Gloriam DE, Bräuner-Osborne H.

Sci Rep. 2019 Mar 7;9(1):3802. doi: 10.1038/s41598-019-40085-9.

4.

Discovery of 2-(Imidazo[1,2- b]pyridazin-2-yl)acetic Acid as a New Class of Ligands Selective for the γ-Hydroxybutyric Acid (GHB) High-Affinity Binding Sites.

Krall J, Bavo F, Falk-Petersen CB, Jensen CH, Nielsen JO, Tian Y, Anglani V, Kongstad KT, Piilgaard L, Nielsen B, Gloriam DE, Kehler J, Jensen AA, Harpsøe K, Wellendorph P, Frølund B.

J Med Chem. 2019 Mar 14;62(5):2798-2813. doi: 10.1021/acs.jmedchem.9b00131. Epub 2019 Feb 27.

PMID:
30763084
5.

Rational design of a heterotrimeric G protein α subunit with artificial inhibitor sensitivity.

Malfacini D, Patt J, Annala S, Harpsøe K, Eryilmaz F, Reher R, Crüsemann M, Hanke W, Zhang H, Tietze D, Gloriam DE, Bräuner-Osborne H, Strømgaard K, König GM, Inoue A, Gomeza J, Kostenis E.

J Biol Chem. 2019 Apr 12;294(15):5747-5758. doi: 10.1074/jbc.RA118.007250. Epub 2019 Feb 11.

6.

Bigger is better in virtual drug screens.

Gloriam DE.

Nature. 2019 Feb;566(7743):193-194. doi: 10.1038/d41586-019-00145-6. No abstract available.

PMID:
30737502
7.

An online resource for GPCR structure determination and analysis.

Munk C, Mutt E, Isberg V, Nikolajsen LF, Bibbe JM, Flock T, Hanson MA, Stevens RC, Deupi X, Gloriam DE.

Nat Methods. 2019 Feb;16(2):151-162. doi: 10.1038/s41592-018-0302-x. Epub 2019 Jan 21. Review.

PMID:
30664776
8.

Receptor selectivity between the G proteins Gα12 and Gα13 is defined by a single leucine-to-isoleucine variation.

Mackenzie AE, Quon T, Lin LC, Hauser AS, Jenkins L, Inoue A, Tobin AB, Gloriam DE, Hudson BD, Milligan G.

FASEB J. 2019 Apr;33(4):5005-5017. doi: 10.1096/fj.201801956R. Epub 2019 Jan 2.

9.

Structure-activity relationship and conformational studies of the natural product cyclic depsipeptides YM-254890 and FR900359.

Zhang H, Nielsen AL, Boesgaard MW, Harpsøe K, Daly NL, Xiong XF, Underwood CR, Haugaard-Kedström LM, Bräuner-Osborne H, Gloriam DE, Strømgaard K.

Eur J Med Chem. 2018 Aug 5;156:847-860. doi: 10.1016/j.ejmech.2018.07.023. Epub 2018 Jul 12.

PMID:
30055466
10.

5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.

Peng Y, McCorvy JD, Harpsøe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang XP, Wu Y, Shen L, Bjørn-Yoshimoto WE, Ding K, Wacker D, Han GW, Cheng J, Katritch V, Jensen AA, Hanson MA, Zhao S, Gloriam DE, Roth BL, Stevens RC, Liu ZJ.

Cell. 2018 Feb 8;172(4):719-730.e14. doi: 10.1016/j.cell.2018.01.001. Epub 2018 Feb 1.

11.

Pharmacogenomics of GPCR Drug Targets.

Hauser AS, Chavali S, Masuho I, Jahn LJ, Martemyanov KA, Gloriam DE, Babu MM.

Cell. 2018 Jan 11;172(1-2):41-54.e19. doi: 10.1016/j.cell.2017.11.033. Epub 2017 Dec 14.

12.

Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms.

Jespers W, Schiedel AC, Heitman LH, Cooke RM, Kleene L, van Westen GJP, Gloriam DE, Müller CE, Sotelo E, Gutiérrez-de-Terán H.

Trends Pharmacol Sci. 2018 Jan;39(1):75-89. doi: 10.1016/j.tips.2017.11.001. Epub 2017 Dec 5. Review.

PMID:
29203139
13.

GPCRdb in 2018: adding GPCR structure models and ligands.

Pándy-Szekeres G, Munk C, Tsonkov TM, Mordalski S, Harpsøe K, Hauser AS, Bojarski AJ, Gloriam DE.

Nucleic Acids Res. 2018 Jan 4;46(D1):D440-D446. doi: 10.1093/nar/gkx1109.

14.

Trends in GPCR drug discovery: new agents, targets and indications.

Hauser AS, Attwood MM, Rask-Andersen M, Schiöth HB, Gloriam DE.

Nat Rev Drug Discov. 2017 Dec;16(12):829-842. doi: 10.1038/nrd.2017.178. Epub 2017 Oct 27. Review.

PMID:
29075003
15.

Molecular Hybridization of Potent and Selective γ-Hydroxybutyric Acid (GHB) Ligands: Design, Synthesis, Binding Studies, and Molecular Modeling of Novel 3-Hydroxycyclopent-1-enecarboxylic Acid (HOCPCA) and trans-γ-Hydroxycrotonic Acid (T-HCA) Analogs.

Krall J, Jensen CH, Bavo F, Falk-Petersen CB, Haugaard AS, Vogensen SB, Tian Y, Nittegaard-Nielsen M, Sigurdardóttir SB, Kehler J, Kongstad KT, Gloriam DE, Clausen RP, Harpsøe K, Wellendorph P, Frølund B.

J Med Chem. 2017 Nov 9;60(21):9022-9039. doi: 10.1021/acs.jmedchem.7b01351. Epub 2017 Oct 30.

PMID:
29028338
16.

Applying label-free dynamic mass redistribution assay for studying endogenous FPR1 receptor signalling in human neutrophils.

Christensen HB, Gloriam DE, Pedersen DS, Cowland JB, Borregaard N, Bräuner-Osborne H.

J Pharmacol Toxicol Methods. 2017 Nov;88(Pt 1):72-78. doi: 10.1016/j.vascn.2017.07.003. Epub 2017 Jul 15.

PMID:
28716665
17.

Identification of Histamine H3 Receptor Ligands Using a New Crystal Structure Fragment-based Method.

Frandsen IO, Boesgaard MW, Fidom K, Hauser AS, Isberg V, Bräuner-Osborne H, Wellendorph P, Gloriam DE.

Sci Rep. 2017 Jul 6;7(1):4829. doi: 10.1038/s41598-017-05058-w.

18.

Selectivity determinants of GPCR-G-protein binding.

Flock T, Hauser AS, Lund N, Gloriam DE, Balaji S, Babu MM.

Nature. 2017 May 18;545(7654):317-322. doi: 10.1038/nature22070. Epub 2017 May 10.

19.

The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site.

Nøhr AC, Jespers W, Shehata MA, Floryan L, Isberg V, Andersen KB, Åqvist J, Gutiérrez-de-Terán H, Bräuner-Osborne H, Gloriam DE.

Sci Rep. 2017 Apr 25;7(1):1128. doi: 10.1038/s41598-017-01049-z.

20.

Development of a human vasopressin V1a-receptor antagonist from an evolutionary-related insect neuropeptide.

Di Giglio MG, Muttenthaler M, Harpsøe K, Liutkeviciute Z, Keov P, Eder T, Rattei T, Arrowsmith S, Wray S, Marek A, Elbert T, Alewood PF, Gloriam DE, Gruber CW.

Sci Rep. 2017 Feb 1;7:41002. doi: 10.1038/srep41002.

21.

Structural insight to mutation effects uncover a common allosteric site in class C GPCRs.

Harpsøe K, Boesgaard MW, Munk C, Bräuner-Osborne H, Gloriam DE.

Bioinformatics. 2017 Apr 15;33(8):1116-1120. doi: 10.1093/bioinformatics/btw784.

22.

GPCRdb: an information system for G protein-coupled receptors.

Isberg V, Mordalski S, Munk C, Rataj K, Harpsøe K, Hauser AS, Vroling B, Bojarski AJ, Vriend G, Gloriam DE.

Nucleic Acids Res. 2017 Mar 17;45(5):2936. doi: 10.1093/nar/gkw1218. No abstract available.

23.

The orphan G protein-coupled receptor GPR139 is activated by the peptides: Adrenocorticotropic hormone (ACTH), α-, and β-melanocyte stimulating hormone (α-MSH, and β-MSH), and the conserved core motif HFRW.

Nøhr AC, Shehata MA, Hauser AS, Isberg V, Mokrosinski J, Andersen KB, Farooqi IS, Pedersen DS, Gloriam DE, Bräuner-Osborne H.

Neurochem Int. 2017 Jan;102:105-113. doi: 10.1016/j.neuint.2016.11.012. Epub 2016 Dec 1.

24.

Novel Agonist Bioisosteres and Common Structure-Activity Relationships for The Orphan G Protein-Coupled Receptor GPR139.

Shehata MA, Nøhr AC, Lissa D, Bisig C, Isberg V, Andersen KB, Harpsøe K, Björkling F, Bräuner-Osborne H, Gloriam DE.

Sci Rep. 2016 Nov 10;6:36681. doi: 10.1038/srep36681.

25.

Total synthesis and structure-activity relationship studies of a series of selective G protein inhibitors.

Xiong XF, Zhang H, Underwood CR, Harpsøe K, Gardella TJ, Wöldike MF, Mannstadt M, Gloriam DE, Bräuner-Osborne H, Strømgaard K.

Nat Chem. 2016 Nov;8(11):1035-1041. doi: 10.1038/nchem.2577. Epub 2016 Jul 25.

26.

Editorial overview: New technologies: GPCR drug design and function-exploiting the current (of) structures.

Tautermann CS, Gloriam DE.

Curr Opin Pharmacol. 2016 Oct;30:vii-x. doi: 10.1016/j.coph.2016.07.012. Epub 2016 Aug 2. No abstract available.

PMID:
27496000
27.

Integrating structural and mutagenesis data to elucidate GPCR ligand binding.

Munk C, Harpsøe K, Hauser AS, Isberg V, Gloriam DE.

Curr Opin Pharmacol. 2016 Oct;30:51-58. doi: 10.1016/j.coph.2016.07.003. Epub 2016 Jul 29. Review.

PMID:
27475047
28.

GPCRdb: the G protein-coupled receptor database - an introduction.

Munk C, Isberg V, Mordalski S, Harpsøe K, Rataj K, Hauser AS, Kolb P, Bojarski AJ, Vriend G, Gloriam DE.

Br J Pharmacol. 2016 Jul;173(14):2195-207. doi: 10.1111/bph.13509. Epub 2016 Jun 3. Review.

29.

GPCRdb: an information system for G protein-coupled receptors.

Isberg V, Mordalski S, Munk C, Rataj K, Harpsøe K, Hauser AS, Vroling B, Bojarski AJ, Vriend G, Gloriam DE.

Nucleic Acids Res. 2016 Jan 4;44(D1):D356-64. doi: 10.1093/nar/gkv1178. Epub 2015 Nov 17. Erratum in: Nucleic Acids Res. 2017 Mar 17;45(5):2936.

30.

Selective Allosteric Antagonists for the G Protein-Coupled Receptor GPRC6A Based on the 2-Phenylindole Privileged Structure Scaffold.

Johansson H, Boesgaard MW, Nørskov-Lauritsen L, Larsen I, Kuhne S, Gloriam DE, Bräuner-Osborne H, Sejer Pedersen D.

J Med Chem. 2015 Nov 25;58(22):8938-51. doi: 10.1021/acs.jmedchem.5b01254. Epub 2015 Nov 16.

PMID:
26516782
31.

Selective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors – A Structural Perspective of Ligands and Mutants.

Harpsøe K, Isberg V, Tehan BG, Weiss D, Arsova A, Marshall FH, Bräuner-Osborne H, Gloriam DE.

Sci Rep. 2015 Sep 11;5:13869. doi: 10.1038/srep13869.

32.

Generic GPCR residue numbers - aligning topology maps while minding the gaps.

Isberg V, de Graaf C, Bortolato A, Cherezov V, Katritch V, Marshall FH, Mordalski S, Pin JP, Stevens RC, Vriend G, Gloriam DE.

Trends Pharmacol Sci. 2015 Jan;36(1):22-31. doi: 10.1016/j.tips.2014.11.001. Epub 2014 Dec 22. Review.

33.

A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors.

Fidom K, Isberg V, Hauser AS, Mordalski S, Lehto T, Bojarski AJ, Gloriam DE.

Methods. 2015 Jan;71:104-12. doi: 10.1016/j.ymeth.2014.09.009. Epub 2014 Oct 5.

PMID:
25286328
34.

Computer-aided discovery of aromatic l-α-amino acids as agonists of the orphan G protein-coupled receptor GPR139.

Isberg V, Andersen KB, Bisig C, Dietz GP, Bräuner-Osborne H, Gloriam DE.

J Chem Inf Model. 2014 Jun 23;54(6):1553-7. doi: 10.1021/ci500197a. Epub 2014 May 30.

PMID:
24826842
35.

mGluR5: exploration of orthosteric and allosteric ligand binding pockets and their applications to drug discovery.

Mølck C, Harpsøe K, Gloriam DE, Mathiesen JM, Nielsen SM, Bräuner-Osborne H.

Neurochem Res. 2014 Oct;39(10):1862-75. doi: 10.1007/s11064-014-1248-8. Epub 2014 Feb 4.

PMID:
24493625
36.

Structure-activity relationships of constrained phenylethylamine ligands for the serotonin 5-HT2 receptors.

Isberg V, Paine J, Leth-Petersen S, Kristensen JL, Gloriam DE.

PLoS One. 2013 Nov 7;8(11):e78515. doi: 10.1371/journal.pone.0078515. eCollection 2013.

37.

Structure-activity relationships and identification of optmized CC-chemokine receptor CCR1, 5, and 8 metal-ion chelators.

Chalikiopoulos A, Thiele S, Malmgaard-Clausen M, Rydberg P, Isberg V, Ulven T, Frimurer TM, Rosenkilde MM, Gloriam DE.

J Chem Inf Model. 2013 Nov 25;53(11):2863-73. doi: 10.1021/ci4003848. Epub 2013 Oct 22.

PMID:
24083637
38.

Chemogenomics of allosteric binding sites in GPCRs.

Gloriam DE.

Drug Discov Today Technol. 2013 Summer;10(2):e307-13. doi: 10.1016/j.ddtec.2012.07.010. Review.

PMID:
24050282
39.

The contribution of atom accessibility to site of metabolism models for cytochromes P450.

Rydberg P, Rostkowski M, Gloriam DE, Olsen L.

Mol Pharm. 2013 Apr 1;10(4):1216-23. doi: 10.1021/mp3005116. Epub 2013 Jan 22.

PMID:
23339440
40.

Design, synthesis, and pharmacological characterization of N- and O-substituted 5,6,7,8-tetrahydro-4H-isoxazolo[4,5-d]azepin-3-ol analogues: novel 5-HT(2A)/5-HT(2C) receptor agonists with pro-cognitive properties.

Jensen AA, Plath N, Pedersen MH, Isberg V, Krall J, Wellendorph P, Stensbøl TB, Gloriam DE, Krogsgaard-Larsen P, Frølund B.

J Med Chem. 2013 Feb 14;56(3):1211-27. doi: 10.1021/jm301656h. Epub 2013 Jan 17.

PMID:
23301527
41.

Modulation in selectivity and allosteric properties of small-molecule ligands for CC-chemokine receptors.

Thiele S, Malmgaard-Clausen M, Engel-Andreasen J, Steen A, Rummel PC, Nielsen MC, Gloriam DE, Frimurer TM, Ulven T, Rosenkilde MM.

J Med Chem. 2012 Sep 27;55(18):8164-77. Epub 2012 Sep 18.

PMID:
22957890
42.

Pharmacological characterization and modeling of the binding sites of novel 1,3-bis(pyridinylethynyl)benzenes as metabotropic glutamate receptor 5-selective negative allosteric modulators.

Mølck C, Harpsøe K, Gloriam DE, Clausen RP, Madsen U, Pedersen LØ, Jimenez HN, Nielsen SM, Mathiesen JM, Bräuner-Osborne H.

Mol Pharmacol. 2012 Nov;82(5):929-37. doi: 10.1124/mol.112.078808. Epub 2012 Aug 16.

PMID:
22899869
43.

Chemogenomic discovery of allosteric antagonists at the GPRC6A receptor.

Gloriam DE, Wellendorph P, Johansen LD, Thomsen AR, Phonekeo K, Pedersen DS, Bräuner-Osborne H.

Chem Biol. 2011 Nov 23;18(11):1489-98. doi: 10.1016/j.chembiol.2011.09.012.

44.

Methods for the successful application of chemogenomics to GPCR drug design.

Garland SL, Gloriam DE.

Curr Top Med Chem. 2011;11(15):1870-1. No abstract available.

PMID:
21470176
45.

Present perspectives on the automated classification of the G-protein coupled receptors (GPCRs) at the protein sequence level.

Davies MN, Gloriam DE, Secker A, Freitas AA, Timmis J, Flower DR.

Curr Top Med Chem. 2011;11(15):1994-2009. Review.

PMID:
21470173
46.

A ligand's view of target similarity: chemogenomic binding site-directed techniques for drug discovery.

Garland SL, Gloriam DE.

Curr Top Med Chem. 2011;11(15):1872-81. Review.

PMID:
21470171
47.

G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations.

Isberg V, Balle T, Sander T, Jørgensen FS, Gloriam DE.

J Chem Inf Model. 2011 Feb 28;51(2):315-25. doi: 10.1021/ci100402f. Epub 2011 Jan 24.

PMID:
21261291
48.

The SMARTCyp cytochrome P450 metabolism prediction server.

Rydberg P, Gloriam DE, Olsen L.

Bioinformatics. 2010 Dec 1;26(23):2988-9. doi: 10.1093/bioinformatics/btq584. Epub 2010 Oct 14.

PMID:
20947523
49.

SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism.

Rydberg P, Gloriam DE, Zaretzki J, Breneman C, Olsen L.

ACS Med Chem Lett. 2010 Mar 15;1(3):96-100. doi: 10.1021/ml100016x. eCollection 2010 Jun 10.

50.

A community standard format for the representation of protein affinity reagents.

Gloriam DE, Orchard S, Bertinetti D, Björling E, Bongcam-Rudloff E, Borrebaeck CA, Bourbeillon J, Bradbury AR, de Daruvar A, Dübel S, Frank R, Gibson TJ, Gold L, Haslam N, Herberg FW, Hiltke T, Hoheisel JD, Kerrien S, Koegl M, Konthur Z, Korn B, Landegren U, Montecchi-Palazzi L, Palcy S, Rodriguez H, Schweinsberg S, Sievert V, Stoevesandt O, Taussig MJ, Ueffing M, Uhlén M, van der Maarel S, Wingren C, Woollard P, Sherman DJ, Hermjakob H.

Mol Cell Proteomics. 2010 Jan;9(1):1-10. doi: 10.1074/mcp.M900185-MCP200. Epub 2009 Aug 11.

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