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Page 1
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Carney DW, Leffler AE, Bell JA, Chandrasinghe AS, Cheng C, Chang E, Dornford A, Dougan DR, Frye LL, Grimes ME, Knehans T, Knight JL, Komandla M, Lane W, Li H, Newman SR, Phimister K, Saikatendu KS, Silverstein H, Vafaei S. Carney DW, et al. Among authors: knehans t. Bioorg Med Chem. 2024 Apr 1;103:117577. doi: 10.1016/j.bmc.2023.117577. Epub 2024 Jan 5. Bioorg Med Chem. 2024. PMID: 38518735 Free article.
Discovery of Cycloalkyl[c]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2α Inhibitors.
Buchstaller HP, Sala-Hojman A, Leiendecker M, Albers J, Anlauf U, Berges N, Dong L, Fuchß T, Germann M, Knehans T, Krier M, Lecomte M, Müller D, Müller SR, Leuthner B, Lindemann R, Musil D, Nowak M, Reither V, Rettig C, Schindler CEM, Pakulska U, Spuck D, Wegener A, Zarębski A. Buchstaller HP, et al. Among authors: knehans t. J Med Chem. 2023 Jul 13;66(13):8666-8686. doi: 10.1021/acs.jmedchem.3c00332. Epub 2023 Jul 5. J Med Chem. 2023. PMID: 37403966
Chromosomal organization of biosynthetic gene clusters suggests plasticity of myxobacterial specialized metabolism including descriptions for nine novel species: Archangium lansinium sp. nov., Myxococcus landrumus sp. nov., Nannocystis bainbridgea sp. nov., Nannocystis poenicansa sp. nov., Nannocystis radixulma sp. nov., Polyangium mundeleinium sp. nov., Pyxidicoccus parkwaysis sp. nov., Sorangium aterium sp. nov., Stigmatella ashevillena sp. nov.
Ahearne A, Phillips K, Knehans T, Hoing M, Dowd SE, Stevens DC. Ahearne A, et al. Among authors: knehans t. bioRxiv [Preprint]. 2023 Mar 8:2023.03.08.531766. doi: 10.1101/2023.03.08.531766. bioRxiv. 2023. PMID: 36945379 Free PMC article. Preprint.
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
Schindler CEM, Baumann H, Blum A, Böse D, Buchstaller HP, Burgdorf L, Cappel D, Chekler E, Czodrowski P, Dorsch D, Eguida MKI, Follows B, Fuchß T, Grädler U, Gunera J, Johnson T, Jorand Lebrun C, Karra S, Klein M, Knehans T, Koetzner L, Krier M, Leiendecker M, Leuthner B, Li L, Mochalkin I, Musil D, Neagu C, Rippmann F, Schiemann K, Schulz R, Steinbrecher T, Tanzer EM, Unzue Lopez A, Viacava Follis A, Wegener A, Kuhn D. Schindler CEM, et al. Among authors: knehans t. J Chem Inf Model. 2020 Nov 23;60(11):5457-5474. doi: 10.1021/acs.jcim.0c00900. Epub 2020 Sep 3. J Chem Inf Model. 2020. PMID: 32813975
Site-Specific Conjugation of Native Antibodies Using Engineered Microbial Transglutaminases.
Dickgiesser S, Rieker M, Mueller-Pompalla D, Schröter C, Tonillo J, Warszawski S, Raab-Westphal S, Kühn S, Knehans T, Könning D, Dotterweich J, Betz UAK, Anderl J, Hecht S, Rasche N. Dickgiesser S, et al. Among authors: knehans t. Bioconjug Chem. 2020 Apr 15;31(4):1070-1076. doi: 10.1021/acs.bioconjchem.0c00061. Epub 2020 Mar 12. Bioconjug Chem. 2020. PMID: 32134638
Discovery of a Locally and Orally Active CXCL12 Neutraligand (LIT-927) with Anti-inflammatory Effect in a Murine Model of Allergic Airway Hypereosinophilia.
Regenass P, Abboud D, Daubeuf F, Lehalle C, Gizzi P, Riché S, Hachet-Haas M, Rohmer F, Gasparik V, Boeglin D, Haiech J, Knehans T, Rognan D, Heissler D, Marsol C, Villa P, Galzi JL, Hibert M, Frossard N, Bonnet D. Regenass P, et al. Among authors: knehans t. J Med Chem. 2018 Sep 13;61(17):7671-7686. doi: 10.1021/acs.jmedchem.8b00657. Epub 2018 Aug 28. J Med Chem. 2018. PMID: 30106292
Iriomoteolides: novel chemical tools to study actin dynamics.
Unzue A, Cribiú R, Hoffman MM, Knehans T, Lafleur K, Caflisch A, Nevado C. Unzue A, et al. Among authors: knehans t. Chem Sci. 2018 Apr 3;9(15):3793-3802. doi: 10.1039/c7sc04286h. eCollection 2018 Apr 21. Chem Sci. 2018. PMID: 29780512 Free PMC article.
Correction to Concurrent Cooperativity and Substrate Inhibition in the Epoxidation of Carbamazepine by Cytochrome P450 3A4 Active Site Mutants Inspired by Molecular Dynamics Simulations.
Müller CS, Knehans T, Davydov DR, Bounds PL, von Mandach U, Halpert JR, Caflisch A, Koppenol WH. Müller CS, et al. Among authors: knehans t. Biochemistry. 2016 Oct 4;55(39):5647. doi: 10.1021/acs.biochem.6b00904. Epub 2016 Sep 21. Biochemistry. 2016. PMID: 27650703 Free PMC article. No abstract available.
13 results