Publikationen 2021
M. Marek; E. Ramos-Morales; G. F.A. Picchi-Constante; T. Bayer; C. Norström; D. Herp; P. A. Sales-Junior; E. Guerra-Slompo; K. Hausmann; A. Chakrabarti; T. B. Shaik; A. Merz; E. Troesch; K. Schmidtkunz; S. Goldenberg; R. J. Pierce; M. M. Mourão; M. Jung; J. Schultz; W. Sippl; N. I.T. Zanchin; C. Romier. Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2. Cell Rep. 37(12):110129, 2021. doi:10.1016/j.celrep.2021.110129
L. Pagliazzo, S. Caby, J. Lancelot, S. Salomé-Desnoulez, J. M. Saliou, T. Chassat, T. Heimburg, W. Sippl, K. Caillia, J. Vicogne, R. J. Pierce. Histone deacetylase 8 interacts with the GTPase SmRho1 in Schistosoma mansoni. PLoS Negl Trop Dis.15(11):e0009503, 2021. doi:10.1371/journal.pntd.0009503
M. Beyer, S. J. Henninger, P. S. Haehnel, A. M. Mustafa, E. Gurdal, B. Schubert, A. Sellmer, S. Mahboobi, S. Drube, W. Sippl, T. Kindler, O. H. Krämer. Identification of a highly efficient dual type I/II FMS-like tyrosine kinase inhibitor that disrupts the growth of leukemic cells. Cell Chem Biol. 2021 Nov 9:S2451-9456(21)00475-X. doi:10.1016/j.chembiol.2021.10.011 .
M. Zessin, M. Meleshin, Z. Simic, D. Kalbas, M. Arbach, S. Liebscher, J. Melsina, F. Bordusa, W. Sippl, C. Barinka, and M. Schutkowski. Continuous Sirtuin/HDAC (histone deacetylase) activity assay using thioamides as PET (Photoinduced Electron Transfer) - based fluorescence quencher. Bioorg Chem, October 12, 2021. https://doi.org/10.1016/j.bioorg.2021.105425
A. Dreger, K. Hoff, E. F. Bülbül, J. Melesina, O. Agoglitta, W. Sippl and R. Holl. Synthesis, biological evaluation, and molecular docking studies of deoxygenated C-glycosides as LpxC inhibitors. Bioorg Chem, October 05, 2021. https://doi.org/10.1016/j.bioorg.2021.105403
B. Turgutalp, M. Uslu, S. Helvacioglu, M. Charehsaz, E. E. Gurdal, W. Sippl, F. Kocabas, and M. Yarim. Lead Optimization and Structure-Activity Relationship Studies on MEIS1 Inhibitor MEISi-1. J Med Chem, 2021, https://doi.org/10.1021/acs.jmedchem.1c00972
E. Ghazy, T. Heimburg, J. Lancelot, P. Zeyen, K. Schmidtkunz, A. Truhn, S. Darwish, C. V. Simoben, M. Marek, F. Erdmann, M. Schmidt, D. Robaa, C. Romier, M. Jung, R. Pierce, W. Sippl. Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of Schistosomiasis. Eur J Med Chem. 2021 Aug 8;225:113745. doi:10.1016/j.ejmech.2021.113745
T. Ekawati Tallei, Fatimawali, R. Idroes, D. Kusumawaty, T. Bin Emran, T . Z. Yesiloglu, W. Sippl, I. Celik. An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants . Front. Pharmacol., 20 August 2021. https://doi.org/10.3389/fphar.2021.717757
H.S. Ibrahim HS, W. Sippl. Application of PROTACs as a Novel Strategy for Drug Discovery. Front. Chem., 30 July 2021 https://doi.org/10.3389/fchem.2021.740196 eCollection 2021.
C. Luise, D. Robaa, W. Sippl. Exploring aromatic cage flexibility of the histone methyllysine reader protein Spindlin1 and its impact on binding mode prediction - an in silico study. J Comput Aided Mol Des., 2021 Jun 3. doi:10.1007/s10822-021-00391-9 . Online ahead of print.
C. Luise, D. Robaa, P. M. Regenass, D. Maurer, D. Ostrovskyi, L. Seifert, J. Bacher, T. Burgahn, T. Wagner, J. Seitz, H. Greschik, K.S. Park, Y. Xiong, J. Jin, R. Schüle, B. Breit, M. Jung, W. Sippl. Structure-based design, docking and binding free energy calculations of A366 derivatives as Spindlin1 inhibitors. Int J Mol Sci. 2021, 22(11), 5910; https://doi.org/10.3390/ijms22115910
Ayca Erdogan, Marwa Bader, Enise Ece Gurdal, Wolfgang Sippl, Rengin Reis, Melda Ozgurbuz, Hande Sipahi, Turgay Celik, Meric Koksal. Design, synthesis and molecular docking of novel 3,5-disubstituted-1,3,4-oxadiazole derivatives as iNOS inhibitors. Archiv Pharmazie, 2021 May 9:e2000469. doi:10.1002/ardp.202000469
Conrad V. Simoben, Ehab Ghazy, Patrik Zeyen, Salma Darwish, Matthias Schmidt, Christophe Romier, Dina Robaa, Wolfgang Sippl. Binding free energy (BFE) calculations and quantitative structure-activity relationship (QSAR) analysis of Schistosoma mansoni histone deacetylase 8 (smHDAC8) inhibitors. Molecules 2021, 26(9), 2584; https://www.mdpi.com/1420-3049/26/9/2584/htm
L. Fuhrmann, S. Lindner, A.T. Hauser, C. Höse, O. Kretz, M. T. Lindenmeyer, W. Sippl, M. Jung, T. B. Huber, N. Wanner. Effects of environmental conditions on nephron number: Modelling maternal diabetes and epigenetic regulation in renal development. Int. J. Mol. Sci. 2021, 22(8), 4157; https://doi.org/10.3390/ijms22084157
K.T. Shukur, T. Ercetin, C. Luise, W. Sippl, O. Sirkecioglu, M. Ulgen, G.P. Coskun, M. Yarim, M. Gazi, H.O. Gulcan. Design, synthesis, and biological evaluation of new urolithin amides as multitarget agents against Alzheimer's disease. Arch Pharm (Weinheim). 2021 Jan 29:e2000467. doi:10.1002/ardp.202000467
HR. Vaca, AM. Celentano, A. Toscanini, T. Heimburg, E. Ghazy, P. Zeyen, A. Hauser, G. Oliveira, MC. Elissondo, M. Jung, W. Sippl, F. Camicia, MC. Rosenzvit. The potential for histone deacetylase (HDAC) inhibitors as cestocidal drugs. PLOS Neglected Tropical Diseases 15(3), e0009226, 2021. doi:10.1371/journal.pntd.0009226
J. Melesina, C. V. Simoben, E. F. Bulbul, L. Praetorius, D. Robaa, W. Sippl. Strategies to Design Selective HDAC Inhibitors. ChemMedChem. 2021 Jan 11. doi:10.1002/cmdc.202000934 . Online ahead of print
Sippl W, Ntie-Kang F. Editorial to Special Issue-"Structure-Activity Relationships (SAR) of Natural Products". Molecules 26(2):E250, 2021. doi:10.3390/molecules26020250.