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Improving binding entropy by higher ligand symmetry? - A case study with human matriptase.
RSC Med Chem. 2023 Apr 27;14(5):969-982. doi: 10.1039/d3md00125c. eCollection 2023 May 25.
RSC Med Chem. 2023.
PMID: 37252099
Free PMC article.
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.
Medrano FJ, de la Hoz-Rodríguez S, Martí S, Arafet K, Schirmeister T, Hammerschmidt SJ, Müller C, González-Martínez Á, Santillana E, Ziebuhr J, Romero A, Zimmer C, Weldert A, Zimmermann R, Lodola A, Świderek K, Moliner V, González FV.
Medrano FJ, et al.
Commun Chem. 2024 Jan 18;7(1):15. doi: 10.1038/s42004-024-01104-7.
Commun Chem. 2024.
PMID: 38238420
Free PMC article.
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Identification of Dual Inhibitors Targeting Main Protease (Mpro) and Cathepsin L as Potential Anti-SARS-CoV-2 Agents.
Previti S, Ettari R, Calcaterra E, Roggia M, Natale B, Weldert AC, Müller-Ruttloff C, Salisch F, Irto A, Cigala RM, Ziebuhr J, Schirmeister T, Cosconati S, Zappalà M.
Previti S, et al. Among authors: weldert ac.
ACS Med Chem Lett. 2024 Mar 1;15(5):602-609. doi: 10.1021/acsmedchemlett.3c00562. eCollection 2024 May 9.
ACS Med Chem Lett. 2024.
PMID: 38746883
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Ligand-Based Design of Selective Peptidomimetic uPA and TMPRSS2 Inhibitors with Arg Bioisosteres.
Müller P, Zimmer C, Frey A, Holzmann G, Weldert AC, Schirmeister T.
Müller P, et al. Among authors: weldert ac.
Int J Mol Sci. 2024 Jan 23;25(3):1375. doi: 10.3390/ijms25031375.
Int J Mol Sci. 2024.
PMID: 38338655
Free PMC article.
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