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Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists (2018)
Journal Article
Adlere, I., Sun, S., Zarca, A., Roumen, L., Gozelle, M., Viciano, C. P., …Leurs, R. (2019). Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists. European Journal of Medicinal Chemistry, 162, 631-649. doi:10.1016/j.ejmech.2018.10.060

Using the available structural information of the chemokine receptor CXCR4, we present hit finding and hit exploration studies that make use of virtual fragment screening, design, synthesis and structure-activity relationship (SAR) studies. Fragment... Read More

The Meisenheimer complex as a paradigm in drug discovery: reversible covalent inhibition through C67 of the ATP binding site of PLK1 (2018)
Journal Article
Pearson, R. J., Blake, D. G., Mezna, M., Fischer, P. M., Westwood, N. J., & McInnes, C. (2018). The Meisenheimer complex as a paradigm in drug discovery: reversible covalent inhibition through C67 of the ATP binding site of PLK1. Cell Chemical Biology, doi:10.1016/j.chembiol.2018.06.001

The polo kinase family are important oncology targets that act in regulating entry into and progression through mitosis. Structure-guided discovery of a new class of inhibitors of Polo-like kinase 1 (PLK1) catalytic activity that interact with Cys67... Read More