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Automated design of multi-target ligands by generative deep learning.
Isigkeit L, Hörmann T, Schallmayer E, Scholz K, Lillich FF, Ehrler JHM, Hufnagel B, Büchner J, Marschner JA, Pabel J, Proschak E, Merk D. Isigkeit L, et al. Among authors: merk d. Nat Commun. 2024 Sep 11;15(1):7946. doi: 10.1038/s41467-024-52060-8. Nat Commun. 2024. PMID: 39261471 Free PMC article.
N-Benzylbenzamides: A Novel Merged Scaffold for Orally Available Dual Soluble Epoxide Hydrolase/Peroxisome Proliferator-Activated Receptor γ Modulators.
Blöcher R, Lamers C, Wittmann SK, Merk D, Hartmann M, Weizel L, Diehl O, Brüggerhoff A, Boß M, Kaiser A, Schader T, Göbel T, Grundmann M, Angioni C, Heering J, Geisslinger G, Wurglics M, Kostenis E, Brüne B, Steinhilber D, Schubert-Zsilavecz M, Kahnt AS, Proschak E. Blöcher R, et al. Among authors: merk d. J Med Chem. 2016 Jan 14;59(1):61-81. doi: 10.1021/acs.jmedchem.5b01239. Epub 2015 Dec 25. J Med Chem. 2016. PMID: 26595749
Nonacidic Farnesoid X Receptor Modulators.
Flesch D, Cheung SY, Schmidt J, Gabler M, Heitel P, Kramer J, Kaiser A, Hartmann M, Lindner M, Lüddens-Dämgen K, Heering J, Lamers C, Lüddens H, Wurglics M, Proschak E, Schubert-Zsilavecz M, Merk D. Flesch D, et al. Among authors: merk d. J Med Chem. 2017 Aug 24;60(16):7199-7205. doi: 10.1021/acs.jmedchem.7b00903. Epub 2017 Aug 8. J Med Chem. 2017. PMID: 28749691
Allosteric modulation of the farnesoid X receptor by a small molecule.
Gabler M, Kramer J, Schmidt J, Pollinger J, Weber J, Kaiser A, Löhr F, Proschak E, Schubert-Zsilavecz M, Merk D. Gabler M, et al. Among authors: merk d. Sci Rep. 2018 May 1;8(1):6846. doi: 10.1038/s41598-018-25158-5. Sci Rep. 2018. PMID: 29717168 Free PMC article.
Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology.
Schierle S, Flauaus C, Heitel P, Willems S, Schmidt J, Kaiser A, Weizel L, Goebel T, Kahnt AS, Geisslinger G, Steinhilber D, Wurglics M, Rovati GE, Schmidtko A, Proschak E, Merk D. Schierle S, et al. Among authors: merk d. J Med Chem. 2018 Jul 12;61(13):5758-5764. doi: 10.1021/acs.jmedchem.8b00458. Epub 2018 Jun 22. J Med Chem. 2018. PMID: 29878767 Free article.
195 results