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Items: 1 to 50 of 373

1.

Affinity, binding kinetics and functional characterization of draflazine analogues for human equilibrative nucleoside transporter 1 (SLC29A1).

Vlachodimou A, Konstantinopoulou K, IJzerman AP, Heitman LH.

Biochem Pharmacol. 2020 Feb;172:113747. doi: 10.1016/j.bcp.2019.113747. Epub 2019 Dec 10.

2.

Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5.

Ortiz Zacarías NV, van Veldhoven JPD, den Hollander LS, Dogan B, Openy J, Hsiao YY, Lenselink EB, Heitman LH, IJzerman AP.

J Med Chem. 2019 Dec 26;62(24):11035-11053. doi: 10.1021/acs.jmedchem.9b00742. Epub 2019 Dec 13.

3.

Lymphoblast-derived hiPS cell lines generated from four individuals of a family of genetically unrelated parents and their female monozygotic twins.

Bouma MJ, Freund C, IJzerman AP, Boomsma DI, Mummery CL, Raymond K.

Stem Cell Res. 2019 Dec;41:101654. doi: 10.1016/j.scr.2019.101654. Epub 2019 Nov 8.

4.

Label-free detection of transporter activity via GPCR signalling in living cells: A case for SLC29A1, the equilibrative nucleoside transporter 1.

Vlachodimou A, IJzerman AP, Heitman LH.

Sci Rep. 2019 Sep 24;9(1):13802. doi: 10.1038/s41598-019-48829-3.

5.

Allosteric modulation of G protein-coupled receptors by amiloride and its derivatives. Perspectives for drug discovery?

Massink A, Amelia T, Karamychev A, IJzerman AP.

Med Res Rev. 2020 Mar;40(2):683-708. doi: 10.1002/med.21633. Epub 2019 Sep 8. Review.

PMID:
31495942
6.

Novel natural and synthetic inhibitors of solute carriers SGLT1 and SGLT2.

Oranje P, Gouka R, Burggraaff L, Vermeer M, Chalet C, Duchateau G, van der Pijl P, Geldof M, de Roo N, Clauwaert F, Vanpaeschen T, Nicolaï J, de Bruyn T, Annaert P, IJzerman AP, van Westen GJP.

Pharmacol Res Perspect. 2019 Jul 30;7(4):e00504. doi: 10.1002/prp2.504. eCollection 2019 Aug.

7.

LUF7244, an allosteric modulator/activator of Kv 11.1 channels, counteracts dofetilide-induced torsades de pointes arrhythmia in the chronic atrioventricular block dog model.

Qile M, Beekman HDM, Sprenkeler DJ, Houtman MJC, van Ham WB, Stary-Weinzinger A, Beyl S, Hering S, van den Berg DJ, de Lange ECM, Heitman LH, IJzerman AP, Vos MA, van der Heyden MAG.

Br J Pharmacol. 2019 Oct;176(19):3871-3885. doi: 10.1111/bph.14798. Epub 2019 Aug 30.

8.

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor.

Liu X, Ye K, van Vlijmen HWT, IJzerman AP, van Westen GJP.

J Cheminform. 2019 May 24;11(1):35. doi: 10.1186/s13321-019-0355-6.

9.

Drug-Target Association Kinetics in Drug Discovery.

IJzerman AP, Guo D.

Trends Biochem Sci. 2019 Oct;44(10):861-871. doi: 10.1016/j.tibs.2019.04.004. Epub 2019 May 14. Review.

PMID:
31101454
10.

A live cell NanoBRET binding assay allows the study of ligand-binding kinetics to the adenosine A3 receptor.

Bouzo-Lorenzo M, Stoddart LA, Xia L, IJzerman AP, Heitman LH, Briddon SJ, Hill SJ.

Purinergic Signal. 2019 Jun;15(2):139-153. doi: 10.1007/s11302-019-09650-9. Epub 2019 Mar 27.

11.

Long residence time adenosine A1 receptor agonists produce sustained wash-resistant antilipolytic effect in rat adipocytes.

Yun Y, Chen J, Liu R, Chen W, Liu C, Wang R, Hou Z, Yu Z, Sun Y, IJzerman AP, Heitman LH, Yin X, Guo D.

Biochem Pharmacol. 2019 Jun;164:45-52. doi: 10.1016/j.bcp.2019.03.032. Epub 2019 Mar 21.

PMID:
30905656
12.

Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor.

Yang X, van Veldhoven JPD, Offringa J, Kuiper BJ, Lenselink EB, Heitman LH, van der Es D, IJzerman AP.

J Med Chem. 2019 Apr 11;62(7):3539-3552. doi: 10.1021/acs.jmedchem.8b02026. Epub 2019 Mar 28.

13.

Advances and Challenges in Computational Target Prediction.

Sydow D, Burggraaff L, Szengel A, van Vlijmen HWT, IJzerman AP, van Westen GJP, Volkamer A.

J Chem Inf Model. 2019 May 28;59(5):1728-1742. doi: 10.1021/acs.jcim.8b00832. Epub 2019 Feb 28.

PMID:
30817146
14.

TLR-Induced IL-12 and CCL2 Production by Myeloid Cells Is Dependent on Adenosine A3 Receptor-Mediated Signaling.

van der Putten C, Veth J, Sukurova L, Zuiderwijk-Sick EA, Simonetti E, Koenen HJPM, Burm SM, van Noort JM, IJzerman AP, van Hijum SAFT, Diavatopoulos D, Bajramovic JJ.

J Immunol. 2019 Apr 15;202(8):2421-2430. doi: 10.4049/jimmunol.1800618. Epub 2019 Feb 25.

PMID:
30804043
15.

Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling.

Burggraaff L, Oranje P, Gouka R, van der Pijl P, Geldof M, van Vlijmen HWT, IJzerman AP, van Westen GJP.

J Cheminform. 2019 Feb 14;11(1):15. doi: 10.1186/s13321-019-0337-8.

16.

Squalene-Adenosine Nanoparticles: Ligands of Adenosine Receptors or Adenosine Prodrug?

Rouquette M, Lepetre-Mouelhi S, Dufrançais O, Yang X, Mougin J, Pieters G, Garcia-Argote S, IJzerman AP, Couvreur P.

J Pharmacol Exp Ther. 2019 Apr;369(1):144-151. doi: 10.1124/jpet.118.254961. Epub 2019 Jan 22.

PMID:
30670479
17.

Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2.

Ortiz Zacarías NV, van Veldhoven JPD, Portner L, van Spronsen E, Ullo S, Veenhuizen M, van der Velden WJC, Zweemer AJM, Kreekel RM, Oenema K, Lenselink EB, Heitman LH, IJzerman AP.

J Med Chem. 2018 Oct 25;61(20):9146-9161. doi: 10.1021/acs.jmedchem.8b00605. Epub 2018 Oct 11.

18.

An Affinity-Based Probe for the Human Adenosine A2A Receptor.

Yang X, Michiels TJM, de Jong C, Soethoudt M, Dekker N, Gordon E, van der Stelt M, Heitman LH, van der Es D, IJzerman AP.

J Med Chem. 2018 Sep 13;61(17):7892-7901. doi: 10.1021/acs.jmedchem.8b00860. Epub 2018 Aug 21.

19.

Impact of allosteric modulation: Exploring the binding kinetics of glutamate and other orthosteric ligands of the metabotropic glutamate receptor 2.

Doornbos MLJ, Vermond SC, Lavreysen H, Tresadern G, IJzerman AP, Heitman LH.

Biochem Pharmacol. 2018 Sep;155:356-365. doi: 10.1016/j.bcp.2018.07.014. Epub 2018 Jul 17.

20.

Intracellular Receptor Modulation: Novel Approach to Target GPCRs.

Ortiz Zacarías NV, Lenselink EB, IJzerman AP, Handel TM, Heitman LH.

Trends Pharmacol Sci. 2018 Jun;39(6):547-559. doi: 10.1016/j.tips.2018.03.002. Epub 2018 Apr 10. Review.

PMID:
29653834
21.

Constitutive activity of the metabotropic glutamate receptor 2 explored with a whole-cell label-free biosensor.

Doornbos MLJ, Van der Linden I, Vereyken L, Tresadern G, IJzerman AP, Lavreysen H, Heitman LH.

Biochem Pharmacol. 2018 Jun;152:201-210. doi: 10.1016/j.bcp.2018.03.026. Epub 2018 Mar 30.

22.

Covalent Allosteric Probe for the Metabotropic Glutamate Receptor 2: Design, Synthesis, and Pharmacological Characterization.

Doornbos MLJ, Wang X, Vermond SC, Peeters L, Pérez-Benito L, Trabanco AA, Lavreysen H, Cid JM, Heitman LH, Tresadern G, IJzerman AP.

J Med Chem. 2019 Jan 10;62(1):223-233. doi: 10.1021/acs.jmedchem.8b00051. Epub 2018 Mar 7.

23.

A two-state model for the kinetics of competitive radioligand binding.

Guo D, Peletier LA, Bridge L, Keur W, de Vries H, Zweemer A, Heitman LH, IJzerman AP.

Br J Pharmacol. 2018 May;175(10):1719-1730. doi: 10.1111/bph.14184. Epub 2018 Apr 17.

24.

Selective Photoaffinity Probe That Enables Assessment of Cannabinoid CB2 Receptor Expression and Ligand Engagement in Human Cells.

Soethoudt M, Stolze SC, Westphal MV, van Stralen L, Martella A, van Rooden EJ, Guba W, Varga ZV, Deng H, van Kasteren SI, Grether U, IJzerman AP, Pacher P, Carreira EM, Overkleeft HS, Ioan-Facsinay A, Heitman LH, van der Stelt M.

J Am Chem Soc. 2018 May 16;140(19):6067-6075. doi: 10.1021/jacs.7b11281. Epub 2018 Feb 16.

25.

A binding kinetics study of human adenosine A3 receptor agonists.

Xia L, Kyrizaki A, Tosh DK, van Duijl TT, Roorda JC, Jacobson KA, IJzerman AP, Heitman LH.

Biochem Pharmacol. 2018 Jul;153:248-259. doi: 10.1016/j.bcp.2017.12.026. Epub 2018 Jan 3.

26.

Molecular Basis of Ligand Dissociation from G Protein-Coupled Receptors and Predicting Residence Time.

Guo D, IJzerman AP.

Methods Mol Biol. 2018;1705:197-206. doi: 10.1007/978-1-4939-7465-8_9. Review.

PMID:
29188564
27.

Species differences and mechanism of action of A3 adenosine receptor allosteric modulators.

Du L, Gao ZG, Paoletta S, Wan TC, Gizewski ET, Barbour S, van Veldhoven JPD, IJzerman AP, Jacobson KA, Auchampach JA.

Purinergic Signal. 2018 Mar;14(1):59-71. doi: 10.1007/s11302-017-9592-1. Epub 2017 Nov 23.

28.

Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP.

Donkers JM, Zehnder B, van Westen GJP, Kwakkenbos MJ, IJzerman AP, Oude Elferink RPJ, Beuers U, Urban S, van de Graaf SFJ.

Sci Rep. 2017 Nov 10;7(1):15307. doi: 10.1038/s41598-017-15338-0.

29.

Structure-Affinity Relationships and Structure-Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists.

Xia L, de Vries H, Lenselink EB, Louvel J, Waring MJ, Cheng L, Pahlén S, Petersson MJ, Schell P, Olsson RI, Heitman LH, Sheppard RJ, IJzerman AP.

J Med Chem. 2017 Dec 14;60(23):9545-9564. doi: 10.1021/acs.jmedchem.7b00861. Epub 2017 Nov 21.

30.

Kinetics of human cannabinoid 1 (CB1) receptor antagonists: Structure-kinetics relationships (SKR) and implications for insurmountable antagonism.

Xia L, de Vries H, Yang X, Lenselink EB, Kyrizaki A, Barth F, Louvel J, Dreyer MK, van der Es D, IJzerman AP, Heitman LH.

Biochem Pharmacol. 2018 May;151:166-179. doi: 10.1016/j.bcp.2017.10.014. Epub 2017 Nov 2.

31.

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.

Lenselink EB, Ten Dijke N, Bongers B, Papadatos G, van Vlijmen HWT, Kowalczyk W, IJzerman AP, van Westen GJP.

J Cheminform. 2017 Aug 14;9(1):45. doi: 10.1186/s13321-017-0232-0.

32.

From receptor binding kinetics to signal transduction; a missing link in predicting in vivo drug-action.

Nederpelt I, Kuzikov M, de Witte WEA, Schnider P, Tuijt B, Gul S, IJzerman AP, de Lange ECM, Heitman LH.

Sci Rep. 2017 Oct 26;7(1):14169. doi: 10.1038/s41598-017-14257-4.

33.

A New Class of Fluorinated A2A Adenosine Receptor Agonist with Application to Last-Step Enzymatic [18 F]Fluorination for PET Imaging.

Lowe PT, Dall'Angelo S, Mulder-Krieger T, IJzerman AP, Zanda M, O'Hagan D.

Chembiochem. 2017 Nov 2;18(21):2156-2164. doi: 10.1002/cbic.201700382. Epub 2017 Sep 21.

PMID:
28851015
34.

Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists.

Xia L, Burger WAC, van Veldhoven JPD, Kuiper BJ, van Duijl TT, Lenselink EB, Paasman E, Heitman LH, IJzerman AP.

J Med Chem. 2017 Sep 14;60(17):7555-7568. doi: 10.1021/acs.jmedchem.7b00950. Epub 2017 Aug 30.

35.

Label-free technology and patient cells: from early drug development to precision medicine.

Hillger JM, Lieuw WL, Heitman LH, IJzerman AP.

Drug Discov Today. 2017 Dec;22(12):1808-1815. doi: 10.1016/j.drudis.2017.07.015. Epub 2017 Aug 1. Review.

36.

A Novel Selective Inverse Agonist of the CB2 Receptor as a Radiolabeled Tool Compound for Kinetic Binding Studies.

Martella A, Sijben H, Rufer AC, Grether U, Fingerle J, Ullmer C, Hartung T, IJzerman AP, van der Stelt M, Heitman LH.

Mol Pharmacol. 2017 Oct;92(4):389-400. doi: 10.1124/mol.117.108605. Epub 2017 Jul 26.

PMID:
28747489
37.

Discovery and Kinetic Profiling of 7-Aryl-1,2,4-triazolo[4,3-a]pyridines: Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 2.

Doornbos MLJ, Cid JM, Haubrich J, Nunes A, van de Sande JW, Vermond SC, Mulder-Krieger T, Trabanco AA, Ahnaou A, Drinkenburg WH, Lavreysen H, Heitman LH, IJzerman AP, Tresadern G.

J Med Chem. 2017 Aug 10;60(15):6704-6720. doi: 10.1021/acs.jmedchem.7b00669. Epub 2017 Aug 1.

PMID:
28704052
38.

Correlation between human ether-a-go-go-related gene channel inhibition and action potential prolongation.

Saxena P, Hortigon-Vinagre MP, Beyl S, Baburin I, Andranovits S, Iqbal SM, Costa A, IJzerman AP, Kügler P, Timin E, Smith GL, Hering S.

Br J Pharmacol. 2017 Sep;174(18):3081-3093. doi: 10.1111/bph.13942. Epub 2017 Aug 11.

39.

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time.

Schuetz DA, de Witte WEA, Wong YC, Knasmueller B, Richter L, Kokh DB, Sadiq SK, Bosma R, Nederpelt I, Heitman LH, Segala E, Amaral M, Guo D, Andres D, Georgi V, Stoddart LA, Hill S, Cooke RM, De Graaf C, Leurs R, Frech M, Wade RC, de Lange ECM, IJzerman AP, Müller-Fahrnow A, Ecker GF.

Drug Discov Today. 2017 Jun;22(6):896-911. doi: 10.1016/j.drudis.2017.02.002. Epub 2017 Apr 13. Review.

PMID:
28412474
40.

A novel CCR2 antagonist inhibits atherogenesis in apoE deficient mice by achieving high receptor occupancy.

Bot I, Ortiz Zacarías NV, de Witte WE, de Vries H, van Santbrink PJ, van der Velden D, Kröner MJ, van der Berg DJ, Stamos D, de Lange EC, Kuiper J, IJzerman AP, Heitman LH.

Sci Rep. 2017 Mar 3;7(1):52. doi: 10.1038/s41598-017-00104-z.

41.

Phenotypic screening of cannabinoid receptor 2 ligands shows different sensitivity to genotype.

Hillger JM, le Roy B, Wang Z, Mulder-Krieger T, Boomsma DI, Slagboom PE, Danen EHJ, IJzerman AP, Heitman LH.

Biochem Pharmacol. 2017 Apr 15;130:60-70. doi: 10.1016/j.bcp.2017.01.014. Epub 2017 Jan 31.

42.

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.

Zheng Y, Qin L, Zacarías NV, de Vries H, Han GW, Gustavsson M, Dabros M, Zhao C, Cherney RJ, Carter P, Stamos D, Abagyan R, Cherezov V, Stevens RC, IJzerman AP, Heitman LH, Tebben A, Kufareva I, Handel TM.

Nature. 2016 Dec 15;540(7633):458-461. doi: 10.1038/nature20605. Epub 2016 Dec 7.

43.

A covalent antagonist for the human adenosine A2A receptor.

Yang X, Dong G, Michiels TJM, Lenselink EB, Heitman L, Louvel J, IJzerman AP.

Purinergic Signal. 2017 Jun;13(2):191-201. doi: 10.1007/s11302-016-9549-9. Epub 2016 Dec 3.

44.

Small molecule absorption by PDMS in the context of drug response bioassays.

van Meer BJ, de Vries H, Firth KSA, van Weerd J, Tertoolen LGJ, Karperien HBJ, Jonkheijm P, Denning C, IJzerman AP, Mummery CL.

Biochem Biophys Res Commun. 2017 Jan 8;482(2):323-328. doi: 10.1016/j.bbrc.2016.11.062. Epub 2016 Nov 14.

45.

Structure-Activity Relationships of the Sustained Effects of Adenosine A2A Receptor Agonists Driven by Slow Dissociation Kinetics.

Hothersall JD, Guo D, Sarda S, Sheppard RJ, Chen H, Keur W, Waring MJ, IJzerman AP, Hill SJ, Dale IL, Rawlins PB.

Mol Pharmacol. 2017 Jan;91(1):25-38. Epub 2016 Nov 1.

46.

Kinetic Profile of Neuropeptide-Receptor Interactions.

Nederpelt I, Bunnik J, IJzerman AP, Heitman LH.

Trends Neurosci. 2016 Dec;39(12):830-839. doi: 10.1016/j.tins.2016.09.008. Epub 2016 Oct 25. Review.

PMID:
27793433
47.

Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.

Paricharak S, Méndez-Lucio O, Chavan Ravindranath A, Bender A, IJzerman AP, van Westen GJP.

Brief Bioinform. 2018 Mar 1;19(2):277-285. doi: 10.1093/bib/bbw105. Review.

48.

In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor.

Lenselink EB, Beuming T, van Veen C, Massink A, Sherman W, van Vlijmen HW, IJzerman AP.

J Comput Aided Mol Des. 2016 Oct;30(10):863-874. Epub 2016 Sep 15.

49.

Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.

Lenselink EB, Jespers W, van Vlijmen HW, IJzerman AP, van Westen GJ.

J Chem Inf Model. 2016 Oct 24;56(10):2053-2060. Epub 2016 Sep 27.

PMID:
27626908
50.

Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A1 receptor antagonists.

Alachouzos G, Lenselink EB, Mulder-Krieger T, de Vries H, IJzerman AP, Louvel J.

Eur J Med Chem. 2017 Jan 5;125:586-602. doi: 10.1016/j.ejmech.2016.09.081. Epub 2016 Sep 26.

PMID:
27718474

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