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Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology.
Kampen S, Duy Vo D, Zhang X, Panel N, Yang Y, Jaiteh M, Matricon P, Svenningsson P, Brea J, Loza MI, Kihlberg J, Carlsson J. Kampen S, et al. Among authors: kihlberg j. Angew Chem Int Ed Engl. 2021 Aug 9;60(33):18022-18030. doi: 10.1002/anie.202101478. Epub 2021 Jul 16. Angew Chem Int Ed Engl. 2021. PMID: 33904641 Free PMC article.
Docking Finds GPCR Ligands in Dark Chemical Matter.
Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea J, Loza MI, Carlsson J. Ballante F, et al. Among authors: kihlberg j. J Med Chem. 2020 Jan 23;63(2):613-620. doi: 10.1021/acs.jmedchem.9b01560. Epub 2020 Jan 13. J Med Chem. 2020. PMID: 31846328
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J. Begnini F, et al. Among authors: kihlberg j. J Med Chem. 2022 Feb 24;65(4):3473-3517. doi: 10.1021/acs.jmedchem.1c01975. Epub 2022 Feb 2. J Med Chem. 2022. PMID: 35108001 Free PMC article.
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
Luttens A, Gullberg H, Abdurakhmanov E, Vo DD, Akaberi D, Talibov VO, Nekhotiaeva N, Vangeel L, De Jonghe S, Jochmans D, Krambrich J, Tas A, Lundgren B, Gravenfors Y, Craig AJ, Atilaw Y, Sandström A, Moodie LWK, Lundkvist Å, van Hemert MJ, Neyts J, Lennerstrand J, Kihlberg J, Sandberg K, Danielson UH, Carlsson J. Luttens A, et al. Among authors: kihlberg j. J Am Chem Soc. 2022 Feb 23;144(7):2905-2920. doi: 10.1021/jacs.1c08402. Epub 2022 Feb 10. J Am Chem Soc. 2022. PMID: 35142215 Free PMC article.
Simulation Reveals the Chameleonic Behavior of Macrocycles.
Sethio D, Poongavanam V, Xiong R, Tyagi M, Duy Vo D, Lindh R, Kihlberg J. Sethio D, et al. Among authors: kihlberg j. J Chem Inf Model. 2023 Jan 9;63(1):138-146. doi: 10.1021/acs.jcim.2c01093. Epub 2022 Dec 23. J Chem Inf Model. 2023. PMID: 36563083 Free PMC article.
Correction to "Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction".
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J. Begnini F, et al. Among authors: kihlberg j. J Med Chem. 2023 Feb 9;66(3):2204. doi: 10.1021/acs.jmedchem.3c00037. Epub 2023 Jan 26. J Med Chem. 2023. PMID: 36701206 Free PMC article. No abstract available.
201 results