Publications 2020
Babiaka SB, Simoben CV, Abuga KO, Mbah JA, Karpoormath R, Ongarora D, Mugo H, Monya E, Cho-Ngwa F, Sippl W, Loveridge EJ, Ntie-Kang F. Alkaloids with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling. Molecules. 2020 Dec 25;26(1):70. doi:10.3390/molecules26010070
A. Wurzlbauer, K. Rüben, E. Gürdal, A. Chaikuad, S. Knapp, W. Sippl, W. Becker and F. Bracher. How to separate kinase inhibition from undesired monoamine oxidase A inhibition - the development of the DYRK1A inhibitor AnnH75 from the alkaloid harmine. Molecules 25(24), 5962, 2020. https://doi.org/10.3390/molecules25245962
D. Herp, J. Ridinger, D. Robaa, S. A. Shinsky, K. Schmidtkunz, T. Z. Yesiloglu, T. Bayer, P. Sehr, N. Gunkel, A. Miller, D.W. Christianson, I. Oehme, W. Sippl, M. Jung. First fluorescent acetylspermidine deacetylation assay for HDAC10 identifies inhibitors of neuroblastoma cell colony growth that increase lysosome accumulation. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.12440096.v3
C.V. Simoben, A. Qaseem, A.F.A. Moumbock, K.K. Telukunta, S. Günther, W. Sippl, F. Ntie-Kang. Pharmacoinformatic investigation of medicinal plants from East Africa. Mol Inform. 2020 Sep 23. doi:10.1002/minf.202000163
B. Karaman Mayack, W. Sippl. Current In Silico Drug Repurposing Strategies. In: Systems Medicine: Integrative, Qualitative and Computational Approaches edited by Olaf Wolkenhauer, Elsevier. Book ISBN: 9780128160770. doi.org/10.1016/B978-0-12-801238-3.11523-5
L. Ângelo de Souza, M. Silva E Bastos, J. de Melo Agripino, T. Souza Onofre, LF. Apaza Calla, T. Heimburg, E. Ghazy, T. Bayer, VH. Ferraz da Silva, P. Dutra Ribeiro, L. Licursi de Oliveira, G. Costa Bressan, MR. de Almeida Lamêgo, A. Silva-Júnior , R. de Souza Vasconcellos, AM. Suarez-Fontes, J. Almeida-Silva, MA. Vannier-Santos, R. Pierce, W. Sippl, J. Lopes Rangel Fietto. Histone deacetylases inhibitors as new potential drugs against Leishmania braziliensis, the main causative agent of New World Tegumentary Leishmaniasis. Biochem Pharmacol, 2020 Aug 7;180:114191. doi:10.1016/j.bcp.2020.114191
C. Glas, J. Dietschreit, N. Wössner, L. Urban, E. Ghazy, W. Sippl, M. Jung, C. Ochsenfeld, F. Bracher. Identification of the subtype-selective Sirt5 inhibitor balsalazide through systematic SAR analysis and rationalization via theoretical investigations. EJMC, Available online 1 August 2020, 112676. https://doi.org/10.1016/j.ejmech.2020.112676
M. Schiedel, A. Lehotzky, S. Szunyogh, J. Oláh, S. Hammelmann, N. Wössner, D. Robaa, O. Einsle, W. Sippl, J. Ovádi, M. Jung. HaloTag-Targeted Sirtuin Rearranging Ligand (SirReal) for the Development of Proteolysis Targeting Chimeras (PROTACs) Against the Lysine Deacetylase Sirtuin 2 (Sirt2). Chembiochem. 2020 Jul 16. doi:10.1002/cbic.202000351 .
E. Ghazy, P. Zeyen, D. Herp, K. Schmidtkunz, M. Hügle, F. Erdmann, D. Robaa, M. Schmidt, C. Romier, S. Günther, M. Jung, W. Sippl. Design, synthesis, and biological evaluation of novel hydroxamates as dual targeting inhibitors of histone deacetylase 6/8 and bromodomain BRPF1. Eur. J. Med. Chem. 200, 112338, 2020. doi:10.1016/j.ejmech.2020.112338
B. Karaman Mayack, W. Sippl, F. Ntie-Kang. Natural Products as Modulators of Sirtuins . Molecules 25(14), 3287, 2020. doi:10.3390/molecules25143287
D. N. Divsalar, C. V. Simoben, C. Schonhofer, R. Khumoekae, W. Sippl, F. Ntie-Kang, I. Tietjen. Novel Histone Deacetylase Inhibitors and HIV-1 Latency-Reversing Agents Identified by Large-Scale Virtual Screening. Front Pharmacol. 11:905, 2020. https://doi.org/10.3389/fphar.2020.00905
Noshadi B, Ercetin T, Luise C, Yuksel MY, Sippl W, Sahin MF, Gazi M Gulcan HO. Synthesis, Characterization, Molecular docking, and Biological Activities of Some Natural and Synthetic Urolithin Analogues. Chem Biodivers. 17, e2000197, 2020. doi:10.1002/cbdv.202000197
F. Ntie-Kang, B. D. Bekono, P. A. Onguéné, L. L. Lifongo, W. Sippl and L. C. Owono. The potential of anti-malarial compounds derived from African medicinal plants: a review of pharmacological evaluations from 2013 to 2019. Malaria J, 19, 183, 2020. doi:10.1186/s12936-020-03231-7
V. C. Carneiro, I. C. de Abreu da Silva, M. S. Amaral, A. S.A. Pereira, G. Oliveira, D. da Silva Pires, S. Verjovski-Almeida, D. Rotilli, A. Mai, E. J. L. Torres, D. Robaa, W. Sippl, R. Pierce, M. T. Borrello, A. Ganesan, J. Lancelot, S. Thiengo, M. A. Fernandez, A. R. R. Vicentino, M. Moraes Mourão, F. S. Coelho and M. R. Fantappié. Pharmacological inhibition of lysine-specific demethylase 1 (LSD1) induces global transcriptional deregulation and ultrastructural alterations that impairs viability in Schistosoma mansoni. PLoS Negl Trop Dis. 14(7):e0008332, 2020. doi:10.1371/journal.pntd.0008332
K. Hoff, S. Mielniczuk, O. Agoglitta, M. T. Iorio, M. Caldara, E. F. Bulbul, J. Melesina, W. Sippl, R. Holl. Synthesis and biological evaluation of triazolyl-substituted benzyloxyacetohydroxamic acids as LpxC inhibitors. Bioorg Med Chem. 28(13):115529, 2020. doi:10.1016/j.bmc.2020.115529 .
N. Wössner, Z. Alhalabi, J. G. Nieto, S. Swyter, J. Gan, K. Schmidtkunz, L. Zhang, A. Vaquero, H. Ovaa, O. Einsle, W. Sippl and M. Jung. Sirtuin 1 Inhibiting Thiocyanates – a New Class of Selective Sirt1 Inhibitors . Front. Oncol. 30 April 20210, 657, 2020. doi.org/10.3389/fonc.2020.00657
D. Robaa, J. Melesina, C.Luise, W. Sippl. Structure-based design of epigenetic inhibitors. In: Chemical Epigenetics , Springer Nature Switzerland AG. Topics in Medicinal Chemistry, 2020. ISBN 978-3-030-42982-9 (eBook) https://link.springer.com/book/10.1007%2F978-3-030-42982-9
C.V. Simoben, D. Robaa, F. Ntie-Kang, W. Sippl. Case studies on computer-based identification of natural products as lead molecules. Physical Sciences Reviews - Berlin: de Gruyter, Bd. 5, Heft 10. 2020, 20180119
A. Schachtmann, D. Robaa, W. Sippl. M. Jung. Proteolysis targeting chimeras (PROTACs) for epigenetics research. Curr Opin Chem Biol. 5;57:8-16, 2020. doi:10.1016/j.cbpa.2020.01.010.
L. Temme, S. Gawaskar, D. Schepmann, D. Robaa, W. Sippl, B. Wünsch. Negative allosteric modulators of the GluN2B NMDA receptor with phenylethylamine structure embedded in ring-expanded and ring-contracted scaffolds. Eur. J. Med. Chem. 190:112138, 2020. doi:10.1016/j.ejmech.2020.112138 .
D. V. Kalinin, S. Kumar, J. M. Pfafenrot, A. Chakrabarti, J. Melesina, W. Sippl, C. Romier, M. Jung, R. Holl. Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors. ChemMedChem. 3;15(7):571-584, 2020. doi:10.1002/cmdc.201900583 .