
Willem Jespers
Universitair docent
- Naam
- Dr. W. Jespers
- Telefoon
- +31 71 527 6229
- w.jespers@lacdr.leidenuniv.nl
- ORCID iD
- 0000-0002-4951-9220
Meer informatie is beschikbaar op de Engelstalige profielpagina.
Universitair docent
- Wiskunde en Natuurwetenschappen
- Leiden Academic Centre for Drug Research
- LACDR/Medicinal Chemistry
- Schoenmaker L., Béquignon O.J.M., Jespers W. & Westen G.J.P. van (2023), UnCorrupt SMILES: a novel approach to de novo design, Journal of cheminformatics 15(1): 22.
- Béquignon O.J.M., Bongers B.J., Jespers W., IJzerman A.P., Water B. van de & Westen G.J.P. van (2023), Papyrus: a large-scale curated dataset aimed at bioactivity predictions, Journal of cheminformatics 15(1): 3.
- Bongers B.J., Gorostiola González M., Wang X., Vlijmen H. van, Jespers W., Gutiérrez-de-Terán H., Ye K., IJzerman A.P., Heitman L.H. & Westen G.J.P. van (2022), Pan-cancer functional analysis of somatic mutations in G protein-coupled receptors, Scientific Reports 12(1): 21534.
- Feng C.L., Wang X., Jespers W., Liu R., Zamarbide Losada S.D., Gorostiola Gonzalez M., Westen G.J.P. van, Danen E.H.J. & Heitman L.H. (2022), Cancer-associated mutations of the adenosine A2A receptor have diverse influences on ligand binding and receptor functions, Molecules 27(15): 4676.
- Wang X., Jespers W., Wolff K.A.N., Buytelaar J., IJzerman A.P., Westen G.J.P. van & Heitman L.H. (2022), Cancer-related somatic mutations in transmembrane helices alter adenosine A1 receptor pharmacology, Molecules 27(12): 3742.
- Wang X., Jespers W., Waal J.J. de, Wolff K.A.N., Uden L. van, IJzerman A.P., Westen G.J.P. van & Heitman L.H. (2022), Cancer-related somatic mutations alter adenosine A1 receptor pharmacology: a focus on mutations in the loops and C- terminus, The FASEB Journal 36(6): e22358.
- Beerkens B.L.H., Wang X., Avgeropoulou M., Adistia L.N., Veldhoven J.P.D. van, Jespers W., Liu R., Heitman L.H., IJzerman A.P. & Es D. van der (2022), Development of subtype-selective covalent ligands for the adenosine A2B receptor by tuning the reactive group, RSC Medicinal Chemistry 13(7): 850-856.
- Jespers W., Heitman L.H., IJzerman A.P., Sotelo E., Westen G.J.P. van, Aqvist J. & Gutiérrez-de-Terán H. (2021), Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations, PLoS Computational Biology 17(11): e1009152.
- Gao Y., Haren M.J., Buijs N., Innocent I., Zhang Y., Sartini D., Campagna R., Emanuelli M., Parsons R.B., Jespers W., Gutiérrez-de-Terán H., Westen G.J.P. van & Martin N.I. (2021), Potent inhibition of nicotinamide N-Methyltransferase by alkene-linked bisubstrate mimics bearing electron deficient aromatics, Journal of Medicinal Chemistry 64(17): 12938-12963.
- Wang X., Jespers W., Prieto-Díaz R., Majellaro M., IJzerman A.P., Westen G.J.P. van, Sotelo E. & Heitman L.H. (2021), Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition, Scientific Reports 11.
- Tehrani K.H.M.E., Wade N., Mashayekhi V., Brüchle N.C., Jespers W., Voskuil K., Pesce D., Haren. M.J. van, Westen G.J.P. van & Martin N.I. (2021), Novel cephalosporin conjugates display potent and selective inhibition of imipenemase-type metallo-β-lactamases, Journal of Medicinal Chemistry 64(13): 9141-9151.
- Tehrani K.H.M.E., Wade N., Mashayekhi V., Brüchle N., Jespers W., Voskuil K., Pesce D., Haren M.J. van, Westen G.J.P. van & Martin N.I. (2021), Novel Cephalosporin conjugates display potent and selective inhibition of Imipenemase-type Metallo-β-Lactamases, Journal of Medicinal Chemistry 64(13): 9141–9151.
- Burggraaff L. Lenselink E.B. Jespers W. Engelen J. van Bongers B.J. Gorostiola Gonzalez M. Liu R. Hoos H.H. Vlijmen H. van IJzerman A.P. Westen G.J.P. van (2020), Successive statistical and structure-based modeling to identify chemically novel kinase inhibitors, Journal of Chemical Information and Modeling 60(9): 4283-4295.
- Jespers W., Schiedel A.C., Heitman L.H., Cooke R.M., Kleene L., Westen G.J.P. van, Gloriam D.E., Müller C.E., Sotelo E. & Gutiérrez-de-Terán H. (2018), Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms, Trends in Pharmacological Sciences 39(1): 75-89.
- Lenselink E.B., Jespers W., Vlijmen H.W.T. van, IJzerman A.P. & Westen G.J.P. van (2016), Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening, Journal of Chemical Information and Modeling 56(10): 2053-2060.
- MODSIM Pharma AB is a startup which I co-founded in 2020. I am CSO.