Jespers W - Search Results

1

Novel Cephalosporin Conjugates Display Potent and Selective Inhibition of Imipenemase-Type Metallo-β-Lactamases.

Tehrani KHME, Wade N, Mashayekhi V, Brüchle NC, Jespers W, Voskuil K, Pesce D, van Haren MJ, van Westen GJP, Martin NI. Tehrani KHME, et al. Among authors: jespers w. J Med Chem. 2021 Jul 8;64(13):9141-9151. doi: 10.1021/acs.jmedchem.1c00362. Epub 2021 Jun 28. J Med Chem. 2021. PMID: 34182755 Free PMC article.

2

Potent Inhibition of Nicotinamide N-Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics.

Gao Y, van Haren MJ, Buijs N, Innocenti P, Zhang Y, Sartini D, Campagna R, Emanuelli M, Parsons RB, Jespers W, Gutiérrez-de-Terán H, van Westen GJP, Martin NI. Gao Y, et al. Among authors: jespers w. J Med Chem. 2021 Sep 9;64(17):12938-12963. doi: 10.1021/acs.jmedchem.1c01094. Epub 2021 Aug 23. J Med Chem. 2021. PMID: 34424711 Free PMC article.

3

Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.

Lenselink EB, Jespers W, van Vlijmen HW, IJzerman AP, van Westen GJ. Lenselink EB, et al. Among authors: jespers w. J Chem Inf Model. 2016 Oct 24;56(10):2053-2060. doi: 10.1021/acs.jcim.6b00314. Epub 2016 Sep 27. J Chem Inf Model. 2016. PMID: 27626908

4

Cancer-Related Somatic Mutations in Transmembrane Helices Alter Adenosine A1 Receptor Pharmacology.

Wang X, Jespers W, Wolff KAN, Buytelaar J, IJzerman AP, van Westen GJP, Heitman LH. Wang X, et al. Among authors: jespers w. Molecules. 2022 Jun 10;27(12):3742. doi: 10.3390/molecules27123742. Molecules. 2022. PMID: 35744872 Free PMC article.

5

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors.

Burggraaff L, Lenselink EB, Jespers W, van Engelen J, Bongers BJ, González MG, Liu R, Hoos HH, van Vlijmen HWT, IJzerman AP, van Westen GJP. Burggraaff L, et al. Among authors: jespers w. J Chem Inf Model. 2020 Sep 28;60(9):4283-4295. doi: 10.1021/acs.jcim.9b01204. Epub 2020 May 12. J Chem Inf Model. 2020. PMID: 32343143 Free PMC article.

6

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.

Jespers W, Heitman LH, IJzerman AP, Sotelo E, van Westen GJP, Åqvist J, Gutiérrez-de-Terán H. Jespers W, et al. PLoS Comput Biol. 2021 Nov 24;17(11):e1009152. doi: 10.1371/journal.pcbi.1009152. eCollection 2021 Nov. PLoS Comput Biol. 2021. PMID: 34818333 Free PMC article.

7

Wang X, Jespers W, de Waal JJ, Wolff KAN, van Uden L, IJzerman AP, van Westen GJP, Heitman LH. Wang X, et al. Among authors: jespers w. FASEB J. 2022 Jun;36(6):e22358. doi: 10.1096/fj.202200203RR. FASEB J. 2022. PMID: 35604751

8

Cancer-Associated Mutations of the Adenosine A_2A Receptor Have Diverse Influences on Ligand Binding and Receptor Functions.

Feng C, Wang X, Jespers W, Liu R, Zamarbide Losada SD, Gorostiola González M, van Westen GJP, Danen EHJ, Heitman LH. Feng C, et al. Among authors: jespers w. Molecules. 2022 Jul 22;27(15):4676. doi: 10.3390/molecules27154676. Molecules. 2022. PMID: 35897852 Free PMC article.

9

Identification of V6.51L as a selectivity hotspot in stereoselective A_2B adenosine receptor antagonist recognition.

Wang X, Jespers W, Prieto-Díaz R, Majellaro M, IJzerman AP, van Westen GJP, Sotelo E, Heitman LH, Gutiérrez-de-Terán H. Wang X, et al. Among authors: jespers w. Sci Rep. 2021 Jul 8;11(1):14171. doi: 10.1038/s41598-021-93419-x. Sci Rep. 2021. PMID: 34238993 Free PMC article.

10

Characterization of cancer-related somatic mutations in the adenosine A_2B receptor.

Wang X, Jespers W, Bongers BJ, Habben Jansen MCC, Stangenberger CM, Dilweg MA, Gutiérrez-de-Terán H, IJzerman AP, Heitman LH, van Westen GJP. Wang X, et al. Among authors: jespers w. Eur J Pharmacol. 2020 Aug 5;880:173126. doi: 10.1016/j.ejphar.2020.173126. Epub 2020 Apr 26. Eur J Pharmacol. 2020. PMID: 32348778 Free article.

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