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Items: 1 to 50 of 64

1.

Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor.

Ladefoged LK, Munro L, Pedersen AJ, Balle T, Bang-Andersen B, Lummis SCR, Schiott B, Kristensen AS.

Mol Pharmacol. 2018 Sep 26. pii: mol.118.113530. doi: 10.1124/mol.118.113530. [Epub ahead of print]

2.

Probing the molecular basis for affinity/potency- and efficacy-based subtype-selectivity exhibited by benzodiazepine-site modulators at GABAA receptors.

Söderhielm PC, Balle T, Bak-Nyhus S, Zhang M, Hansen KM, Ahring PK, Jensen AA.

Biochem Pharmacol. 2018 Aug 17. pii: S0006-2952(18)30343-5. doi: 10.1016/j.bcp.2018.08.019. [Epub ahead of print]

PMID:
30121248
3.

Galantamine is not a positive allosteric modulator of human α4β2 or α7 nicotinic acetylcholine receptors.

Kowal NM, Ahring PK, Liao VWY, Indurti DC, Harvey BS, O'Connor SM, Chebib M, Olafsdottir ES, Balle T.

Br J Pharmacol. 2018 Jul;175(14):2911-2925. doi: 10.1111/bph.14329. Epub 2018 Jun 7.

PMID:
29669164
4.

Concatenated nicotinic acetylcholine receptors: A gift or a curse?

Ahring PK, Liao VWY, Balle T.

J Gen Physiol. 2018 Jan 30. pii: jgp.201711846. doi: 10.1085/jgp.201711846. [Epub ahead of print]

5.

Liquid lipases for enzymatic concentration of n-3 polyunsaturated fatty acids in monoacylglycerols via ethanolysis: Catalytic specificity and parameterization.

He Y, Li J, Kodali S, Balle T, Chen B, Guo Z.

Bioresour Technol. 2017 Jan;224:445-456. doi: 10.1016/j.biortech.2016.10.087. Epub 2016 Nov 4.

PMID:
27839863
6.

Ligand Binding at the 4-4 Agonist-Binding Site of the 42 nAChR Triggers Receptor Activation through a Pre-Activated Conformational State.

Indurthi DC, Lewis TM, Ahring PK, Balle T, Chebib M, Absalom NL.

PLoS One. 2016 Aug 23;11(8):e0161154. doi: 10.1371/journal.pone.0161154. eCollection 2016. Erratum in: PLoS One. 2016 Oct 19;11(10 ):e0165184.

7.

Innate Immunity and Inflammation Post-Stroke: An α7-Nicotinic Agonist Perspective.

Neumann S, Shields NJ, Balle T, Chebib M, Clarkson AN.

Int J Mol Sci. 2015 Dec 4;16(12):29029-46. doi: 10.3390/ijms161226141. Review.

8.

Structural Studies of Nicotinic Acetylcholine Receptors: Using Acetylcholine-Binding Protein as a Structural Surrogate.

Shahsavar A, Gajhede M, Kastrup JS, Balle T.

Basic Clin Pharmacol Toxicol. 2016 Jun;118(6):399-407. doi: 10.1111/bcpt.12528. Epub 2016 Jan 14. Review.

9.

Exploration of the molecular architecture of the orthosteric binding site in the α4β2 nicotinic acetylcholine receptor with analogs of 3-(dimethylamino)butyl dimethylcarbamate (DMABC) and 1-(pyridin-3-yl)-1,4-diazepane.

Bach TB, Jensen AA, Petersen JG, Sørensen TE, Della Volpe S, Liu J, Blaazer AR, van Muijlwijk-Koezen JE, Balle T, Frølund B.

Eur J Med Chem. 2015 Sep 18;102:425-44. doi: 10.1016/j.ejmech.2015.07.024. Epub 2015 Jul 17.

PMID:
26301559
10.

Conformationally restrained carbamoylcholine homologues. Synthesis, pharmacology at neuronal nicotinic acetylcholine receptors and biostructural considerations.

de la Fuente Revenga M, Balle T, Jensen AA, Frølund B.

Eur J Med Chem. 2015 Sep 18;102:352-62. doi: 10.1016/j.ejmech.2015.07.029. Epub 2015 Jul 17.

PMID:
26298493
11.

Acetylcholine-Binding Protein Engineered to Mimic the α4-α4 Binding Pocket in α4β2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity.

Shahsavar A, Ahring PK, Olsen JA, Krintel C, Kastrup JS, Balle T, Gajhede M.

Mol Pharmacol. 2015 Oct;88(4):697-707. doi: 10.1124/mol.115.098061. Epub 2015 Jul 15.

12.

Pinnatoxins E, F and G target multiple nicotinic receptor subtypes.

Hellyer SD, Indurthi D, Balle T, Runder-Varga V, Selwood AI, Tyndall JD, Chebib M, Rhodes L, Kerr DS.

J Neurochem. 2015 Nov;135(3):479-91. doi: 10.1111/jnc.13245. Epub 2015 Aug 3.

13.

From shellfish poisoning to neuroscience.

Shahsavar A, Balle T.

Structure. 2015 Jun 2;23(6):979-80. doi: 10.1016/j.str.2015.05.008.

14.

Tying up Nicotine: New Selective Competitive Antagonist of the Neuronal Nicotinic Acetylcholine Receptors.

Petersen IN, Crestey F, Jensen AA, Indurthi DC, Pedersen H, Andreasen JT, Balle T, Kristensen JL.

ACS Med Chem Lett. 2015 Mar 4;6(4):472-5. doi: 10.1021/acsmedchemlett.5b00028. eCollection 2015 Apr 9.

15.

GABAA receptor partial agonists and antagonists: structure, binding mode, and pharmacology.

Krall J, Balle T, Krogsgaard-Larsen N, Sørensen TE, Krogsgaard-Larsen P, Kristiansen U, Frølund B.

Adv Pharmacol. 2015;72:201-27. doi: 10.1016/bs.apha.2014.10.003. Epub 2014 Dec 4. Review.

PMID:
25600372
16.

Engineered α4β2 nicotinic acetylcholine receptors as models for measuring agonist binding and effect at the orthosteric low-affinity α4-α4 interface.

Ahring PK, Olsen JA, Nielsen EØ, Peters D, Pedersen MH, Rohde LA, Kastrup JS, Shahsavar A, Indurthi DC, Chebib M, Gajhede M, Balle T.

Neuropharmacology. 2015 May;92:135-45. doi: 10.1016/j.neuropharm.2014.12.035. Epub 2015 Jan 13.

PMID:
25595102
17.

5-(Piperidin-4-yl)-3-hydroxypyrazole: A novel scaffold for probing the orthosteric γ-aminobutyric acid type A receptor binding site.

Krall J, Kongstad KT, Nielsen B, Sørensen TE, Balle T, Jensen AA, Frølund B.

ChemMedChem. 2014 Nov;9(11):2475-85. doi: 10.1002/cmdc.201402248. Epub 2014 Aug 26.

PMID:
25156407
18.

Revision of the classical dopamine D2 agonist pharmacophore based on an integrated medicinal chemistry, homology modelling and computational docking approach.

Krogsgaard-Larsen N, Harpsøe K, Kehler J, Christoffersen CT, Brøsen P, Balle T.

Neurochem Res. 2014 Oct;39(10):1997-2007. doi: 10.1007/s11064-014-1314-2. Epub 2014 Jul 24. Review.

PMID:
25056287
19.

Synthesis and pharmacological evaluation of 6-aminonicotinic acid analogues as novel GABA(A) receptor agonists.

Petersen JG, Sørensen T, Damgaard M, Nielsen B, Jensen AA, Balle T, Bergmann R, Frølund B.

Eur J Med Chem. 2014 Sep 12;84:404-16. doi: 10.1016/j.ejmech.2014.07.039. Epub 2014 Jul 11.

PMID:
25038482
20.

Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at α4β2 nicotinic acetylcholine receptors.

Olsen JA, Ahring PK, Kastrup JS, Gajhede M, Balle T.

J Biol Chem. 2014 Sep 5;289(36):24911-21. doi: 10.1074/jbc.M114.568097. Epub 2014 Jun 30.

21.

Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors.

Olsen JA, Balle T, Gajhede M, Ahring PK, Kastrup JS.

PLoS One. 2014 Mar 17;9(3):e91232. doi: 10.1371/journal.pone.0091232. eCollection 2014.

22.

Probing the orthosteric binding site of GABAA receptors with heterocyclic GABA carboxylic acid bioisosteres.

Petersen JG, Bergmann R, Krogsgaard-Larsen P, Balle T, Frølund B.

Neurochem Res. 2014 Jun;39(6):1005-15. doi: 10.1007/s11064-013-1226-6. Epub 2013 Dec 21. Review.

PMID:
24362592
23.

Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists.

Crestey F, Jensen AA, Borch M, Andreasen JT, Andersen J, Balle T, Kristensen JL.

J Med Chem. 2013 Dec 12;56(23):9673-82. doi: 10.1021/jm4013592. Epub 2013 Nov 21.

PMID:
24187998
24.

Two distinct allosteric binding sites at α4β2 nicotinic acetylcholine receptors revealed by NS206 and NS9283 give unique insights to binding activity-associated linkage at Cys-loop receptors.

Olsen JA, Kastrup JS, Peters D, Gajhede M, Balle T, Ahring PK.

J Biol Chem. 2013 Dec 13;288(50):35997-6006. doi: 10.1074/jbc.M113.498618. Epub 2013 Oct 29.

25.

Covalent trapping of methyllycaconitine at the α4-α4 interface of the α4β2 nicotinic acetylcholine receptor: antagonist binding site and mode of receptor inhibition revealed.

Absalom NL, Quek G, Lewis TM, Qudah T, von Arenstorff I, Ambrus JI, Harpsøe K, Karim N, Balle T, McLeod MD, Chebib M.

J Biol Chem. 2013 Sep 13;288(37):26521-32. doi: 10.1074/jbc.M113.475053. Epub 2013 Jul 26.

26.

Exploring the orthosteric binding site of the γ-aminobutyric acid type A receptor using 4-(Piperidin-4-yl)-1-hydroxypyrazoles 3- or 5-imidazolyl substituted: design, synthesis, and pharmacological evaluation.

Krall J, Jensen CH, Sørensen TE, Nielsen B, Jensen AA, Sander T, Balle T, Frølund B.

J Med Chem. 2013 Aug 22;56(16):6536-40. doi: 10.1021/jm4006466. Epub 2013 Aug 8.

PMID:
23855889
27.

Radiosynthesis and evaluation of new α1-adrenoceptor antagonists as PET radioligands for brain imaging.

Airaksinen AJ, Finnema SJ, Balle T, Varnäs K, Bang-Andersen B, Gulyás B, Farde L, Halldin C.

Nucl Med Biol. 2013 Aug;40(6):747-54. doi: 10.1016/j.nucmedbio.2013.05.007. Epub 2013 Jun 27.

PMID:
23810488
28.

Probing the role of backbone hydrogen bonds in protein-peptide interactions by amide-to-ester mutations.

Eildal JN, Hultqvist G, Balle T, Stuhr-Hansen N, Padrah S, Gianni S, Strømgaard K, Jemth P.

J Am Chem Soc. 2013 Sep 4;135(35):12998-3007. doi: 10.1021/ja402875h. Epub 2013 Jun 7.

29.

A unified model of the GABA(A) receptor comprising agonist and benzodiazepine binding sites.

Bergmann R, Kongsbak K, Sørensen PL, Sander T, Balle T.

PLoS One. 2013;8(1):e52323. doi: 10.1371/journal.pone.0052323. Epub 2013 Jan 7.

30.

Synthesis and biological evaluation of 4-(aminomethyl)-1-hydroxypyrazole analogues of muscimol as γ-aminobutyric acid(a) receptor agonists.

Petersen JG, Bergmann R, Møller HA, Jørgensen CG, Nielsen B, Kehler J, Frydenvang K, Kristensen J, Balle T, Jensen AA, Kristiansen U, Frølund B.

J Med Chem. 2013 Feb 14;56(3):993-1006. doi: 10.1021/jm301473k. Epub 2013 Jan 23.

PMID:
23294161
31.

Synthesis, pharmacology, and biostructural characterization of novel α4β2 nicotinic acetylcholine receptor agonists.

Ussing CA, Hansen CP, Petersen JG, Jensen AA, Rohde LA, Ahring PK, Nielsen EØ, Kastrup JS, Gajhede M, Frølund B, Balle T.

J Med Chem. 2013 Feb 14;56(3):940-51. doi: 10.1021/jm301409f. Epub 2013 Jan 22.

PMID:
23256554
32.

Molecular determinants of subtype-selective efficacies of cytisine and the novel compound NS3861 at heteromeric nicotinic acetylcholine receptors.

Harpsøe K, Hald H, Timmermann DB, Jensen ML, Dyhring T, Nielsen EØ, Peters D, Balle T, Gajhede M, Kastrup JS, Ahring PK.

J Biol Chem. 2013 Jan 25;288(4):2559-70. doi: 10.1074/jbc.M112.436337. Epub 2012 Dec 10.

33.

Discovery of novel α₁-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands.

Jørgensen M, Jørgensen PN, Christoffersen CT, Jensen KG, Balle T, Bang-Andersen B.

Bioorg Med Chem. 2013 Jan 1;21(1):196-204. doi: 10.1016/j.bmc.2012.10.049. Epub 2012 Nov 15.

PMID:
23218776
34.

Radiolabelling and PET brain imaging of the α₁-adrenoceptor antagonist Lu AE43936.

Risgaard R, Ettrup A, Balle T, Dyssegaard A, Hansen HD, Lehel S, Madsen J, Pedersen H, Püschl A, Badolo L, Bang-Andersen B, Knudsen GM, Kristensen JL.

Nucl Med Biol. 2013 Jan;40(1):135-40. doi: 10.1016/j.nucmedbio.2012.09.010. Epub 2012 Nov 17.

PMID:
23165140
35.

Crystal structure of Lymnaea stagnalis AChBP complexed with the potent nAChR antagonist DHβE suggests a unique mode of antagonism.

Shahsavar A, Kastrup JS, Nielsen EØ, Kristensen JL, Gajhede M, Balle T.

PLoS One. 2012;7(8):e40757. doi: 10.1371/journal.pone.0040757. Epub 2012 Aug 22.

36.

Covalent attachment of antagonists to the α7 nicotinic acetylcholine receptor: synthesis and reactivity of substituted maleimides.

Ambrus JI, Halliday JI, Kanizaj N, Absalom N, Harpsøe K, Balle T, Chebib M, McLeod MD.

Chem Commun (Camb). 2012 Jul 7;48(53):6699-701. doi: 10.1039/c2cc32442c. Epub 2012 May 25.

PMID:
22627701
37.

Discovery of a novel allosteric modulator of 5-HT3 receptors: inhibition and potentiation of Cys-loop receptor signaling through a conserved transmembrane intersubunit site.

Trattnig SM, Harpsøe K, Thygesen SB, Rahr LM, Ahring PK, Balle T, Jensen AA.

J Biol Chem. 2012 Jul 20;287(30):25241-54. doi: 10.1074/jbc.M112.360370. Epub 2012 May 15.

38.

Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine α4β2 receptors: unique role of halogen bonding revealed.

Rohde LA, Ahring PK, Jensen ML, Nielsen EØ, Peters D, Helgstrand C, Krintel C, Harpsøe K, Gajhede M, Kastrup JS, Balle T.

J Biol Chem. 2012 Feb 3;287(6):4248-59. doi: 10.1074/jbc.M111.292243. Epub 2011 Dec 13.

39.

A 3D-QSAR-driven approach to binding mode and affinity prediction.

Tosco P, Balle T.

J Chem Inf Model. 2012 Feb 27;52(2):302-7. doi: 10.1021/ci200411s. Epub 2011 Dec 1.

PMID:
22087561
40.

Relaxed fabrication tolerance for self-imaging photonic crystal waveguide splitters using a tapered multimode interference region.

Zhang M, Christian Krüger A, Groothoff N, Balle T, Kristensen M.

Opt Lett. 2011 Aug 15;36(16):3058-60. doi: 10.1364/OL.36.003058.

PMID:
21847159
41.

Unraveling the high- and low-sensitivity agonist responses of nicotinic acetylcholine receptors.

Harpsøe K, Ahring PK, Christensen JK, Jensen ML, Peters D, Balle T.

J Neurosci. 2011 Jul 27;31(30):10759-66. doi: 10.1523/JNEUROSCI.1509-11.2011.

42.

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment.

Tosco P, Balle T, Shiri F.

J Comput Aided Mol Des. 2011 Aug;25(8):777-83. doi: 10.1007/s10822-011-9462-9. Epub 2011 Jul 27.

PMID:
21792629
43.

SDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projects.

Tosco P, Balle T, Shiri F.

J Mol Model. 2011 Nov;17(11):3021-3. doi: 10.1007/s00894-011-1111-7. Epub 2011 May 15.

PMID:
21573895
44.

New insights into the GABA(A) receptor structure and orthosteric ligand binding: receptor modeling guided by experimental data.

Sander T, Frølund B, Bruun AT, Ivanov I, McCammon JA, Balle T.

Proteins. 2011 May;79(5):1458-77. doi: 10.1002/prot.22975. Epub 2011 Mar 1.

45.

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
46.

Docking to flexible nicotinic acetylcholine receptors: a validation study using the acetylcholine binding protein.

Sander T, Bruun AT, Balle T.

J Mol Graph Model. 2010 Nov;29(3):415-24. doi: 10.1016/j.jmgm.2010.08.004. Epub 2010 Sep 29.

PMID:
20884263
47.

Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity for α(1)-adrenoceptors.

Kristensen JL, Püschl A, Jensen M, Risgaard R, Christoffersen CT, Bang-Andersen B, Balle T.

J Med Chem. 2010 Oct 14;53(19):7021-34. doi: 10.1021/jm100652h.

PMID:
20857909
48.

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.

Tosco P, Balle T.

J Mol Model. 2011 Jan;17(1):201-8. doi: 10.1007/s00894-010-0684-x. Epub 2010 Apr 11.

PMID:
20383726
49.

Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.

Møller HA, Sander T, Kristensen JL, Nielsen B, Krall J, Bergmann ML, Christiansen B, Balle T, Jensen AA, Frølund B.

J Med Chem. 2010 Apr 22;53(8):3417-21. doi: 10.1021/jm100106r.

PMID:
20355712
50.

Ginkgolide X is a potent antagonist of anionic Cys-loop receptors with a unique selectivity profile at glycine receptors.

Jensen AA, Bergmann ML, Sander T, Balle T.

J Biol Chem. 2010 Mar 26;285(13):10141-53. doi: 10.1074/jbc.M109.079319. Epub 2010 Jan 27.

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