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From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement.
Mostinski Y, Heynen GJJE, López-Alberca MP, Paul J, Miksche S, Radetzki S, Schaller D, Shanina E, Seyffarth C, Kolomeets Y, Ziebart N, de Schryver J, Oestreich S, Neuenschwander M, Roske Y, Heinemann U, Rademacher C, Volkamer A, von Kries JP, Birchmeier W, Nazaré M. Mostinski Y, et al. Among authors: volkamer a. J Med Chem. 2020 Dec 10;63(23):14780-14804. doi: 10.1021/acs.jmedchem.0c01265. Epub 2020 Nov 19. J Med Chem. 2020. PMID: 33210922
Revealing cytotoxic substructures in molecules using deep learning.
Webel HE, Kimber TB, Radetzki S, Neuenschwander M, Nazaré M, Volkamer A. Webel HE, et al. Among authors: volkamer a. J Comput Aided Mol Des. 2020 Jul;34(7):731-746. doi: 10.1007/s10822-020-00310-4. Epub 2020 Apr 16. J Comput Aided Mol Des. 2020. PMID: 32297073 Free PMC article.
New 3-Aryl-2-(2-thienyl)acrylonitriles with High Activity Against Hepatoma Cells.
Schaller E, Ma A, Gosch LC, Klefenz A, Schaller D, Goehringer N, Kaps L, Schuppan D, Volkamer A, Schobert R, Biersack B, Nitzsche B, Höpfner M. Schaller E, et al. Among authors: volkamer a. Int J Mol Sci. 2021 Feb 24;22(5):2243. doi: 10.3390/ijms22052243. Int J Mol Sci. 2021. PMID: 33668139 Free PMC article.
Small molecule inhibiting microglial nitric oxide release could become a potential treatment for neuroinflammation.
Jordan P, Costa A, Specker E, Popp O, Volkamer A, Piske R, Obrusnik T, Kleissle S, Stuke K, Rex A, Neuenschwander M, von Kries JP, Nazare M, Mertins P, Kettenmann H, Wolf SA. Jordan P, et al. Among authors: volkamer a. PLoS One. 2023 Feb 6;18(2):e0278325. doi: 10.1371/journal.pone.0278325. eCollection 2023. PLoS One. 2023. PMID: 36745631 Free PMC article.
48 results