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Target deconvolution of HDAC pharmacopoeia reveals MBLAC2 as common off-target.
Lechner S, Malgapo MIP, Grätz C, Steimbach RR, Baron A, Rüther P, Nadal S, Stumpf C, Loos C, Ku X, Prokofeva P, Lautenbacher L, Heimburg T, Würf V, Meng C, Wilhelm M, Sippl W, Kleigrewe K, Pauling JK, Kramer K, Miller AK, Pfaffl MW, Linder ME, Kuster B, Médard G. Lechner S, et al. Among authors: sippl w. Nat Chem Biol. 2022 Aug;18(8):812-820. doi: 10.1038/s41589-022-01015-5. Epub 2022 Apr 28. Nat Chem Biol. 2022. PMID: 35484434 Free PMC article.
Molecular basis for the antiparasitic activity of a mercaptoacetamide derivative that inhibits histone deacetylase 8 (HDAC8) from the human pathogen schistosoma mansoni.
Stolfa DA, Marek M, Lancelot J, Hauser AT, Walter A, Leproult E, Melesina J, Rumpf T, Wurtz JM, Cavarelli J, Sippl W, Pierce RJ, Romier C, Jung M. Stolfa DA, et al. Among authors: sippl w. J Mol Biol. 2014 Oct 9;426(20):3442-53. doi: 10.1016/j.jmb.2014.03.007. Epub 2014 Mar 20. J Mol Biol. 2014. PMID: 24657767 Free article.
Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis.
Heimburg T, Chakrabarti A, Lancelot J, Marek M, Melesina J, Hauser AT, Shaik TB, Duclaud S, Robaa D, Erdmann F, Schmidt M, Romier C, Pierce RJ, Jung M, Sippl W. Heimburg T, et al. Among authors: sippl w. J Med Chem. 2016 Mar 24;59(6):2423-35. doi: 10.1021/acs.jmedchem.5b01478. Epub 2016 Mar 14. J Med Chem. 2016. PMID: 26937828 Free article.
Tofacitinib and analogs as inhibitors of the histone kinase PRK1 (PKN1).
Ostrovskyi D, Rumpf T, Eib J, Lumbroso A, Slynko I, Klaeger S, Heinzlmeir S, Forster M, Gehringer M, Pfaffenrot E, Bauer SM, Schmidtkunz K, Wenzler S, Metzger E, Kuster B, Laufer S, Schüle R, Sippl W, Breit B, Jung M. Ostrovskyi D, et al. Among authors: sippl w. Future Med Chem. 2016 Sep;8(13):1537-51. doi: 10.4155/fmc-2016-0132. Epub 2016 Aug 30. Future Med Chem. 2016. PMID: 27572962
Structure-Activity Relationship of Propargylamine-Based HDAC Inhibitors.
Wünsch M, Senger J, Schultheisz P, Schwarzbich S, Schmidtkunz K, Michalek C, Klaß M, Goskowitz S, Borchert P, Praetorius L, Sippl W, Jung M, Sewald N. Wünsch M, et al. Among authors: sippl w. ChemMedChem. 2017 Dec 19;12(24):2044-2053. doi: 10.1002/cmdc.201700550. Epub 2017 Nov 30. ChemMedChem. 2017. PMID: 29120081
Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity.
Heimburg T, Kolbinger FR, Zeyen P, Ghazy E, Herp D, Schmidtkunz K, Melesina J, Shaik TB, Erdmann F, Schmidt M, Romier C, Robaa D, Witt O, Oehme I, Jung M, Sippl W. Heimburg T, et al. Among authors: sippl w. J Med Chem. 2017 Dec 28;60(24):10188-10204. doi: 10.1021/acs.jmedchem.7b01447. Epub 2017 Dec 15. J Med Chem. 2017. PMID: 29190092
279 results