Martin Luther University Halle-Wittenberg

Publications 2024

Further information concerning the publications from the Sippl group can be found here:

C. Vorreiter, D. Robaa, W. Sippl. Exploring Aromatic Cage Flexibility Using Cosolvent MD Simulations – an In-Silico Case Study on Tudor Domains. JCIM, 2024 May 21. doi:10.1021/acs.jcim.4c00298   

A. Colcerasa, F. Friedrich, J. Melesina, P. Moser, A. Vogelmann, P. Tzortzoglou, E. Neuwirt, M. Sum, L., D. Robaa, Zhang, E. Ramos-Morales, C. Romier, O. Einsle, E. Metzger, R. Schüle, O. Gross, W. Sippl, M. Jung. Structure-activity studies of 1,2,4-oxadiazoles for the inhibition of the NAD+ dependent lysine deacylase Sirtuin 2. J Med Chem. 2024 Jun 7. doi:10.1021/acs.jmedchem.4c00229   .

A. Soudi, O. Bender, I. Celik, A.A.A. El-Hafeez, R. Dogan, A. Atalay, E.B.Elkaeed, A.A. Alsfouk, E.M.N. Abdelhafez, O.M. Aly, W. Sippl, T.F.S. Ali. Discovery and Anticancer Screening of Novel Oxindole-Based Derivative Bearing Pyridyl Group as Potent and Selective Dual FLT3/CDK2 Kinase Inhibitor. Pharmaceuticals (Basel). 2024 May 20;17(5):659. doi:10.3390/ph17050659   

C. Schneider, J. Hilbert, F. Genevaux, S. Höfer, L. Krauß, F. Schicktanz, C. Tapia Contreras, T. Richter, A. M. Alfayomy, C. Falcomatà, C. Schneeweis, F. Orben, E. Demirdizen, R. Öllinger, A. Boshnakovska, P. Rehling, D. Müller, P. Ströbel, V. Ellenrieder, L. Conradi, E. Hessmann, M. Ghadimi, M. Grade, M. Wirth, K. Steiger, R. Rad, B. Kuster, W. Sippl, M. Reichert, D. Saur, G. Schneider. AMPK inhibition by repurposed PF-3758309 restores the sensitivity to ferroptosis inducers in pancreatic cancer. Sci Adv, in press

A. G. Kansy, R. Ashry,  A. M. Mustafa,  A. Alfayomy, M.P. Radsak,  Y. Zeyn, M. Bros, W. Sippl and O. H. Krämer. Pharmacological degradation of ATR induces antiproliferative DNA replication stress in leukemic cells. Mol Oncol. 2024 Mar 22. doi:10.1002/1878-0261.13638.   

A. M. Alfayomy, R. Ashry, A. Kansy, A.C. Sarnow, F. Erdmann, M. Schmidt, O. H. Krämer, W. Sippl. Design, synthesis, and biological characterization of proteolysis targeting chimera (PROTACs) for the Ataxia telangiectasia and RAD3-related (ATR) kinase. European J Med Chem. 2024, 267:116167.   

N. Cheshmazar, M. Hamzeh-Mivehroud, S. Hemmati, H. Abolhasani, F. Heidari, H. N. Charoudeh, M. Zessin, M. Schutkowski, W. Sippl, S. Dastmalchi. Key structural requirements of benzamide derivatives for HDAC inhibition: Design, synthesis and biological evaluation. Future Med Chem. 2024 Apr 16. doi:10.4155/fmc-2023-0122   

F. Baselious, S. Hilscher, S. Hagemann, S. Tripathee, D. Robaa, C. Barinka, S. Hüttelmaier, M. Schutkowski, W. Sippl. Utilization of an Optimized AlphaFold Protein Model for Structure-Based Design of a Selective HDAC11 Inhibitor with Anti-neuroblastoma Activity. 10.26434/chemrxiv-2024-6f790   

F. Baselious, S. Hilscher, D. Robaa, C. Barinka, M. Schutkowski, W. Sippl. Comparative Structure-Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor. Int. J. Mol. Sci. 2024, 25(2), 1358;   

M. Pannek, Z. Al Halabi, D. Tomaselli, M. Menna, F. Fiorentino, D. Robaa, M. Weyand, M. Puhlmann, S. Tomassi, F. Barreca, M. Tafani, E. Zaganjor, M. Haigis, W. Sippl, D. Rotili, A. Mai, C. Steegborn. Specific Inhibitors of the Mitochondrial Deacylase Sirtuin 4 Endowed with Cellular Activity. J Med Chem. 2024 67(3):1843-1860. doi:10.1021/acs.jmedchem.3c01496   .

L. Seitz, N. Reiling, C. Vorreiter, W. Sippl, S. Kessler, A. Hilgeroth.Synthesis and Evaluation of Novel Substituted N-Aryl 1,4-Dihydropyridines as An-tituberculostatic Agents.Med Chem. 20 (1), 30-39, 2024. doi:10.2174/1573406419666230622121512.