Bart Lenselink
Guest Scientist
- Name
- Dr. E.B. Lenselink
- Telephone
- +31 71 527 2727
- e.b.lenselink@lacdr.leidenuniv.nl
- ORCID iD
- 0000-0001-5459-2978
Bart Lenselink is a postdoctoral researcher at the Division of Medicinal Chemistry. His research projects focus on proteochemometric modeling and the role of water molecules in GPCR’s.
My interest in medicinal chemistry and (computational-) drug discovery comes from my study Biopharmaceutical Sciences, which I followed at Leiden University from September 2007 until September 2012. During my master I did two internships in the field of computational drug discovery. My first internship was at the LACDR, Medicinal Chemistry, a project which focused on the development of Proteochemometric models for Class A GPCR’s, supervised by Gerard van Westen. My second internship was in San Francisco at UCSF, where I helped with the development of a method for peptide docking.
My projects currently focus on different themes. The first major project is about Proteochemometric modeling, which is a method based on QSAR that also incorporates structural information of the target proteins. In this way more predictive models can be build based on (known) chemical data. The other project will focus on the role of water molecules in GPCR’s, especially in the Adenosine receptors. The role of these water molecules in determining selectivity, binding and affinity will be studied.
Guest Scientist
- Science
- Leiden Academic Centre for Drug Research
- LACDR/Medicinal Chemistry
- Luukkonen S.I.M., Meijer E., Tricarico G.A., Hofmans J., Stouten P.F.W., Westen G.J.P. van & Lenselink E.B. (2023), Large-scale modeling of sparse protein kinase activity data, Journal of Chemical Information and Modeling 63(12): 3688-3696.
- Béquignon O.J.M., Gómez-Tamayo J.C., Lenselink E.B., Wink S., Hiemstra S.W., Lam C.C., Gadaleta D., Roncaglioni A., Norinder U., Water B. van de, Pastor M. & Westen G.J.P. van (2023), Collaborative SAR modeling and prospective in vitro validation of oxidative stress activation in human HepG2 cells, Journal of Chemical Information and Modeling 63(17): 5433-5445.
- Wel T. van der Hilhorst R Dulk H. den Hooven T. van den Prins N.M. Wijnakker J.A.P.M. Florea B.I. Lenselink E.B. Westen G.J.P. van Ruijtenbeek R. Overkleeft H.S. Kaptein A. Barf T. Stelt M. van der (2020), Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis, Nature Communications 11(1): 3216.
- 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.
- Janssen A.P.A., Grimm S.H., Wijdeven R.H.M., Lenselink E.B., Neefjes J.J.C., Boeckel C.A.A. van, Westen G.J.P. van & Stelt M. van der (2019), Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome-Inhibitor Interaction Landscapes, Journal of Chemical Information and Modeling 59(3): 1221-1229.
- Ortiz Zacarías N.V., Veldhoven J.P.D. van, Hollander L.S. den, Dogan B., Openy J., Hsiao Y.Y., Lenselink E.B., Heitman L.H. & IJzerman A.P. (2019), Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5, Journal of Medicinal Chemistry 62(24): 11035-11053.
- Yevseyeva I., Lenselink E.B., Vries A. de, IJzerman A.P., Deutz A.H. & Emmerich M.T.M. (2019), Application of portfolio optimization to drug discovery, Information Sciences 475: 29-43.
- Grimm S.H., Gagestein B., Keijzer J.F., Liu N., Wijdeven R.H., Lenselink E.B., Tuin A.W., Nieuwendijk A.M.C.H. van den, Westen G.J.P. van, Boeckel C.A.A. van, Overkleeft H.S., Neefjes J. & Stelt M. van der (2019), Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors, Bioorganic & Medicinal Chemistry 27(5): 692-699.
- Pastor M., Westen G.J.P., Gomez-Tamayo J.C., Lenselink B.E., Lam C.-C., Water B. van de, Norinder U., Manganelli S., Gadaleta D. & Roncaglioni A. (2018), Development and validation of computational models for predicting oxidative stress responses using comprehensive series of drug-like compounds, Toxicology Letters 295(Supplement 1): S62-S63.
- Ortiz Zacarías N.V., Lenselink E.B., IJzerman A.P., Handel T.M. & Heitman L.H. (2018), Intracellular Receptor Modulation: Novel Approach to Target GPCRs, Trends in Pharmacological Sciences 39(6): 547-559.
- Xia L., Vries H. de, Yang X., Lenselink E.B., Kyrizaki A., Barth F., Louvel J., Dreyer M.K., Es D. van der, IJzerman A.P. & Heitman L.H. (2018), Kinetics of human cannabinoid 1 (CB1) receptor antagonists: Structure-kinetics relationships (SKR) and implications for insurmountable antagonism, Biochemical Pharmacology 151: 166-179.
- Zacarias N.V.O., Veldhoven J.P.D. van, Portner L., Spronsen E. van, Ullo S, Veenhuizen M., Velden W.J.C. van der, Zweemer A.J.M., Kreekel R.M., Oenema K., Lenselink E.B., Heitman L.H.I & IJzerman A.P. (2018), Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2, Journal of Medicinal Chemistry 61(20): 9146-9161.
- Yang X., Dong G., Michiels T.J.M., Lenselink E.B., Heitman L.H., Louvel J.A. & IJzerman A.P. (2017), A covalent antagonist for the human adenosine A_2A receptor, Purinergic Signalling 13(2): 191-201.
- Lenselink E.B. (7 June 2017), Clavis Aurea? Structure-enabled approaches of identifying and optimizing GPCR ligands (Dissertatie. Leiden Academic Centre for Drug Research (LACDR), Science, Leiden University). Supervisor(s): IJzerman A.P. & Vlijmen H.W.T. van.
- Xia L., Vries H. de, Lenselink E.B., Louvel J.A., Waring M.J., Cheng L., Pahlen S., Petersson M.J., Schell P., Olsson R.I., Heitman L.H., Sheppard R.J. & IJzerman A.P. (2017), Structure-Affinity Relationships and Structure-Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists, Journal of Medicinal Chemistry 60(23): 9545-9564.
- Xia L., Burger W.A.C., Veldhoven J.P.D. van, Kuiper B.J., Duijl T.T. van, Lenselink E.B., Paasman E., Heitman L.H. & IJzerman A.P. (2017), Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A(3) Receptor Antagonists, Journal of Medicinal Chemistry 60(17): 7555-7568.
- Lenselink E.B., Dijke N. ten, Bongers B.J., Papadatos G., Vlijmen H. van, Kowalczyk W.J., IJzerman A.P. & Westen G.J.P. van (2017), Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set, Journal of Cheminformatics 9(1): 45.
- Alachouzos G., Lenselink E.B., Mulder-Krieger T., Vries H. de, IJzerman A.P. & Louvel J. (2017), Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A(1) receptor antagonists, European Journal of Medicinal Chemistry 125: 586-602.
- Lenselink E.B., Louvel J.A., Forti A.F., Veldhoven J.P.D. van, Vries H. de, Mulder-Krieger T., McRobb F.M., Negri A., Goose J., Abel R., Vlijmen H.W.T. van, Wang L., Harder E., Sherman W., IJzerman A.P. & Beuming T. (2016), Predicting binding affinities for GPCR ligands using free-energy perturbation, ACS Omega 1(2): 293-304.
- 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.
- Cortes-Ciriano I., Westen G.J.P. van, Murrell D.S., Lenselink E.B., Bender A. & Malliavin T.E. (2015), Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling, BMC Bioinformatics 16(3): A4.
- Louvel J., Guo D., Soethoudt M., Mocking T.A.M., Lenselink E.B., Mulder-Krieger T., Heitman L.H. & Ijzerman A.P. (2015), Structure-kinetics relationships of Capadenoson derivatives as adenosine A(1) receptor agonists, European Journal of Medicinal Chemistry 101: 681-691.
- Liu R., Nahon D., Roy B. le, Lenselink E.B. & IJzerman A.P. (2015), Scanning mutagenesis in a yeast system delineates the role of the NPxxY(x)(5,6)F motif and helix 8 of the adenosine A(2B) receptor in G protein coupling, Biochemical Pharmacology 95(4): 290-300.
- Massink A., Gutiérrez-de-Terán H., Lenselink E.B., Ortiz Zacarías N.V., Xia L., Heitman L.H., Katritch V., Stevens R.C. & IJzerman A.P. (2015), Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function, Molecular Pharmacology 87(2): 305-13.
- Lenselink Eelke B., Beuming Thijs, Sherman Woody, Van Vlijmen Herman W.T. & IJzerman Adriaan P. (2014), Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A(2A) Receptor, Journal of Chemical Information and Modeling 54(6): 1737-1746.
- Zweemer Annelien J.M., Bunnik Julia, Veenhuizen Margo, Miraglia Fabiana, Lenselink Eelke B., Vilums Maris, De Vries Henk, Gibert Arthur, Thiele Stefanie, Rosenkilde Mette M., IJzerman Adriaan P. & Heitman Laura H. (2014), Discovery and Mapping of an Intracellular Antagonist Binding Site at the Chemokine Receptor CCR2, Molecular Pharmacology 86(4): 358-368.
- Peeters Miriam C., Li Qilan, Elands Rachel, Van Westen Gerard J.P., Lenselink Eelke B., Mueller Christa E. & IJzerman Adriaan P. (2014), Domains for activation and inactivation in G protein-coupled receptors - A mutational analysis of constitutive activity of the adenosine A(2B) receptor, Biochemical Pharmacology 92(2): 348-357.
- Cortes-Ciriano I., Westen G.J.P. van, Lenselink E.B., Murrel D.S., Bender A. & Malliavin T.E. (2014), Proteochemometric modeling in a Bayesian framework, Journal of Cheminformatics 6: 35.
- Bansal M., Yang J., Karan C ., Menden M.P., Costello J.C., Tang H., Xiao G., Li Y., Allen J., Zhong R., Chen B., Kim M., Wang T., Heiser L.M., Realubit R., Mattioli M., Alvarez M.J., Shen Y., Westen G.J.P. van., IJzerman A.P., Lenselink E.B., Vlijmen H.W.T. van, Wegner J.K., Gallahan D., Singer D., Saez-Rodriguezc J., Xie Y., Stolovitzky G. & Califano A. (2014), A community computational challenge to predict the activity of pairs of compounds, Nature Biotechnology 32: 1213–1222.
- Cortes-Ciriano I., Ul Ain Q., Subramanian V., Lenselink E.B., Mendez-Lucio O., IJzerman A.P., Wohlfahrt G., Prusis P., Malliavin T.E., Westen G.J.P. van & Bender A. (2014), Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects, MedChemComm 6(1): 24-50.
- Costello J.C., Heiser L.M., Georgii E., Gönen M., Menden M.P., Wang N.J., Bansal M., Ammad-ud-din M., Hintsanen P., Khan S.A., Mpindi J-P., Kallioniemi O., Honkela A., Aittokallio T., Wennerberg K., Westen G.J.P van, Lenselink E.B., IJzerman A.P., Vlijmen H.W.T. van, Collins J.J., Gallahan D., Singer D., Saez-Rodriguez J., Kaski S., Gray J.W. & Stolovitzky G. (2014), A community effort to assess and improve drug sensitivity prediction algorithms, Nature Biotechnology 32: 1202–1212.
- Kufareva I., Katritch V., Stevens R.C., Abagyan R. & et al (2014), Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges, Structure 22(8): 1120–1139.
- Liu R., Groenewoud N.J.A., Peeters M.C., Lenselink E.B. & IJzerman A.P. (2014), A yeast screening method to decipher the interaction between the adenosine A2B receptor and the C-terminus of different G protein α-subunits, Purinergic Signalling 10(3): 441-453.
- Louvel J.A., Carvalho J.F.S., Yu Z., Soethoudt M., Lenselink E.B., Klaasse E., Brussee J. & IJzerman A.P. (2013), Removal of Human Ether-a-go-go Related Gene (hERG) K+ Channel Affinity through Rigidity: A Case of Clofilium Analogues, Journal of Medicinal Chemistry 56(23): 9427-9440.