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Not Every Hit-Identification Technique Works on 1-Deoxy-d-Xylulose 5-Phosphate Synthase (DXPS): Making the Most of a Virtual Screening Campaign.
Johannsen S, Gierse RM, Olshanova A, Smerznak E, Laggner C, Eschweiler L, Adeli Z, Hamid R, Alhayek A, Reiling N, Haupenthal J, Hirsch AKH. Johannsen S, et al. Among authors: haupenthal j. ChemMedChem. 2023 Jun 1;18(11):e202200590. doi: 10.1002/cmdc.202200590. Epub 2023 Apr 14. ChemMedChem. 2023. PMID: 36896721
N-Aryl-3-mercaptosuccinimides as Antivirulence Agents Targeting Pseudomonas aeruginosa Elastase and Clostridium Collagenases.
Konstantinović J, Yahiaoui S, Alhayek A, Haupenthal J, Schönauer E, Andreas A, Kany AM, Müller R, Koehnke J, Berger FK, Bischoff M, Hartmann RW, Brandstetter H, Hirsch AKH. Konstantinović J, et al. Among authors: haupenthal j. J Med Chem. 2020 Aug 13;63(15):8359-8368. doi: 10.1021/acs.jmedchem.0c00584. Epub 2020 Jun 17. J Med Chem. 2020. PMID: 32470298 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: haupenthal j. Chem Sci. 2021 Apr 28;12(22):7775-7785. doi: 10.1039/d1sc00330e. Chem Sci. 2021. PMID: 34168831 Free PMC article.
Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors.
Kaya C, Walter I, Yahiaoui S, Sikandar A, Alhayek A, Konstantinović J, Kany AM, Haupenthal J, Köhnke J, Hartmann RW, Hirsch AKH. Kaya C, et al. Among authors: haupenthal j. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112295. doi: 10.1002/anie.202112295. Epub 2021 Dec 13. Angew Chem Int Ed Engl. 2022. PMID: 34762767 Free PMC article.
Inhibition of Collagenase Q1 of Bacillus cereus as a Novel Antivirulence Strategy for the Treatment of Skin-Wound Infections.
Alhayek A, Khan ES, Schönauer E, Däinghaus T, Shafiei R, Voos K, Han MKL, Ducho C, Posselt G, Wessler S, Brandstetter H, Haupenthal J, Del Campo A, Hirsch AKH. Alhayek A, et al. Among authors: haupenthal j. Adv Ther (Weinh). 2022 Mar;5(3):2100222. doi: 10.1002/adtp.202100222. Epub 2022 Jan 15. Adv Ther (Weinh). 2022. PMID: 35310821 Free PMC article.
Structure-Based Design of α-Substituted Mercaptoacetamides as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa.
Kaya C, Walter I, Alhayek A, Shafiei R, Jézéquel G, Andreas A, Konstantinović J, Schönauer E, Sikandar A, Haupenthal J, Müller R, Brandstetter H, Hartmann RW, Hirsch AKH. Kaya C, et al. Among authors: haupenthal j. ACS Infect Dis. 2022 May 13;8(5):1010-1021. doi: 10.1021/acsinfecdis.1c00628. Epub 2022 Apr 22. ACS Infect Dis. 2022. PMID: 35451824 Free PMC article.
Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
Alhayek A, Abdelsamie AS, Schönauer E, Camberlein V, Hutterer E, Posselt G, Serwanja J, Blöchl C, Huber CG, Haupenthal J, Brandstetter H, Wessler S, Hirsch AKH. Alhayek A, et al. Among authors: haupenthal j. J Med Chem. 2022 Oct 13;65(19):12933-12955. doi: 10.1021/acs.jmedchem.2c00785. Epub 2022 Sep 26. J Med Chem. 2022. PMID: 36154055 Free PMC article.
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: haupenthal j. 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.
63 results