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Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening.
Zhu D, Johannsen S, Masini T, Simonin C, Haupenthal J, Illarionov B, Andreas A, Awale M, Gierse RM, van der Laan T, van der Vlag R, Nasti R, Poizat M, Buhler E, Reiling N, Müller R, Fischer M, Reymond JL, Hirsch AKH. Zhu D, et al. Among authors: van der vlag r. Chem Sci. 2022 Aug 8;13(36):10686-10698. doi: 10.1039/d2sc02371g. eCollection 2022 Sep 21. Chem Sci. 2022. PMID: 36320685 Free PMC article.
7-Hydroxycoumarins Are Affinity-Based Fluorescent Probes for Competitive Binding Studies of Macrophage Migration Inhibitory Factor.
Xiao Z, Chen D, Song S, van der Vlag R, van der Wouden PE, van Merkerk R, Cool RH, Hirsch AKH, Melgert BN, Quax WJ, Poelarends GJ, Dekker FJ. Xiao Z, et al. Among authors: van der vlag r. J Med Chem. 2020 Oct 22;63(20):11920-11933. doi: 10.1021/acs.jmedchem.0c01160. Epub 2020 Oct 13. J Med Chem. 2020. PMID: 32940040 Free PMC article.
Optimized Inhibitors of MDM2 via an Attempted Protein-Templated Reductive Amination.
van der Vlag R, Yagiz Unver M, Felicetti T, Twarda-Clapa A, Kassim F, Ermis C, Neochoritis CG, Musielak B, Labuzek B, Dömling A, Holak TA, Hirsch AKH. van der Vlag R, et al. ChemMedChem. 2020 Feb 17;15(4):370-375. doi: 10.1002/cmdc.201900574. Epub 2019 Dec 12. ChemMedChem. 2020. PMID: 31774938 Free PMC article.
Low-Dimensional Metal-Organic Coordination Structures on Graphene.
Li J, Solianyk L, Schmidt N, Baker B, Gottardi S, Moreno Lopez JC, Enache M, Monjas L, van der Vlag R, Havenith RWA, Hirsch AKH, Stöhr M. Li J, et al. Among authors: van der vlag r. J Phys Chem C Nanomater Interfaces. 2019 May 23;123(20):12730-12735. doi: 10.1021/acs.jpcc.9b00326. Epub 2019 Apr 30. J Phys Chem C Nanomater Interfaces. 2019. PMID: 31156737 Free PMC article.