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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: johannsen s. 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.
Hit-optimization using target-directed dynamic combinatorial chemistry: development of inhibitors of the anti-infective target 1-deoxy-d-xylulose-5-phosphate synthase.
Jumde RP, Guardigni M, Gierse RM, Alhayek A, Zhu D, Hamid Z, Johannsen S, Elgaher WAM, Neusens PJ, Nehls C, Haupenthal J, Reiling N, Hirsch AKH. Jumde RP, et al. Among authors: johannsen s. Chem Sci. 2021 Apr 28;12(22):7775-7785. doi: 10.1039/d1sc00330e. Chem Sci. 2021. PMID: 34168831 Free PMC article.
High Target Homology Does Not Guarantee Inhibition: Aminothiazoles Emerge as Inhibitors of Plasmodium falciparum.
Johannsen S, Gierse RM, Krüger A, Edwards RL, Nanna V, Fontana A, Zhu D, Masini T, de Carvalho LP, Poizat M, Kieftenbelt B, Hodge DM, Alvarez S, Bunt D, Lacour A, Shams A, Meissner KA, de Souza EE, Dröge M, van Vliet B, den Hartog J, Hutter MC, Held J, Odom John AR, Wrenger C, Hirsch AKH. Johannsen S, et al. ACS Infect Dis. 2024 Mar 8;10(3):1000-1022. doi: 10.1021/acsinfecdis.3c00670. Epub 2024 Feb 17. ACS Infect Dis. 2024. PMID: 38367280 Free PMC article.
Spin-Crossover and Fragmentation of Fe(neoim)2 on Silver and Gold.
Johannsen S, Gruber M, Barreteau C, Seredyuk M, Antonio Real J, Markussen T, Berndt R. Johannsen S, et al. J Phys Chem Lett. 2023 Sep 7;14(35):7814-7823. doi: 10.1021/acs.jpclett.3c01551. Epub 2023 Aug 25. J Phys Chem Lett. 2023. PMID: 37623823
Organometallic Pillarplexes That Bind DNA 4-Way Holliday Junctions and Forks.
Craig JS, Melidis L, Williams HD, Dettmer SJ, Heidecker AA, Altmann PJ, Guan S, Campbell C, Browning DF, Sigel RKO, Johannsen S, Egan RT, Aikman B, Casini A, Pöthig A, Hannon MJ. Craig JS, et al. Among authors: johannsen s. J Am Chem Soc. 2023 Jun 28;145(25):13570-13580. doi: 10.1021/jacs.3c00118. Epub 2023 Jun 15. J Am Chem Soc. 2023. PMID: 37318835 Free PMC article.
83 results