Martin Luther University Halle-Wittenberg

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Publications 2014

S. Furdas, I. Hoffmann, D. Robaa, W. Malinka, P. Swiatek, W. Sippl, M. Jung. Pyrido- and benzisothiazolones as inhibitors of histone acetyltransferases (HATs). Med Chem Comm, 2014, 5, 1856-1862 doi:10.1039/c4md00245h   

S. Kannan, J. Melesina, A.-T. Hauser, A. Chakrabarti, T. Heimburg,
K. Schmidtkunz, A. Walter, M. Marek, R. J. Pierce, C. Romier, M. Jung and
W. Sippl.
Discovery of Inhibitors of Schistosoma Mansoni HDAC8 by Combining Homology Modeling, Virtual Screening and In Vitro Validation. J Chem Inf Model. 2014, 54, 3005-19. DOI:10.1021/ci5004653    

Rumpf, T., Schiedel, M., Karaman, B., Rossler, C.,
North, B.J. Ladwein, K.I., Gaier, M., Sinclair,  D.A., Schutkowski, M., Sippl, W., Jung. M.
Structural basis for selective inhibition of hSirt2 by ligand induced rearrangement of the active site. 248th ACS National Meeting & Exposition, San Francisco, CA, United States, August 10-14, 2014 (2014), CINF-121.  

Simoben, C.V., Ntie-Kang, F., Lifongo, L.L., Babiaka, S.B., Sippl, W., Mbaze, L.M. The uniqueness and therapeutic value of natural products from West  African medicinal plants, part III: Least abundant compound classes. RSC Advances  2014, 4, 40095-40110. doi:10.1039/C4RA05376A   

F. Ntie-Kang, L. L. Lifongo, C.V. Simoben, S. B. Babiaka, W. Sippl and
L. Meva'a Mbaze
. The uniqueness and therapeutic value of natural products from West  African medicinal plants, part II: terpenoids, geographical distribution  and drug discovery. RSC Advances, 2014, 4, 35348-35370. doi:10.1039/C4RA04543B   

F. Ntie-Kang, J.N. Nwodo, A. Ibezim, C.V. Simoben , B. Karaman,
V.F. Ngwa VF, W. Sippl, M.U. Adikwu, L.M. Mbaze.
Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants. J. Chem. Inf. Model. 2014, 54, 2433–2450. DOI:10.1021/ci5003697    

C. Falenczyk, M. Schiedel, B. Karaman, T. Rumpf, N. Kuzmanovic, M. Grötli,
W. Sippl, M. Jung, B. König.
Photochromic subtype-specific Diarylmaleimide Inhibitors for NAD+-Dependent Histone Deacetylases (Sirtuins). Chemical Science, 2014, 5, 4794. DOI:10.1039/C4SC01346H    

M. Schiedel, M. Marek, J. Lancelot, B. Karaman, I. Almlöf, J. Schultz, W. Sippl, R. J. Pierce, C. Romier, and M. Jung. Assay development for the NAD+ dependent histone deacetylase smSirt2 from Schistosoma mansoni. J. Biomol. Screening, 2015, 20, 112-21. doi:10.1177/1087057114555307   

F. Ntie-Kang, J.N. Yong, L.C. Owono Owono, W. Sippl, E. Megnassan. Perspectives on Tuberculosis Pathogenesis and Discovery of Anti-Tubercular Drugs. Curr Med Chem. 2014, 21, 3466-3477.

C. Roessler, T. Nowak, M. Pannek, M. Gertz, G. T.T. Nguyen, M. Scharfe,
W. Sippl, C. Steegborn, M. Schutkowski.
Chemical probing of the human Sirtuin 5 active site reveals its acyl specificity and peptide-based inhibitors.
Angew Chem Int Ed Engl. 2014, 53, 10728-10732. doi:10.1002/anie.201402679   

P.A. Onguéné, F. Ntie-Kang, J.A. Mbah, L. Lifongo, J.C. Ndom, W. Sippl,
L. Mbaze. The potential of anti-malarial compounds derived from African medicinal  plants, part III: An in silico evaluation of drug metabolism and  pharmacokinetics profiling. Organic and Medicinal Chemistry Letters, 2014, 4:6. DOI:10.1186/s13588-014-0006-x   

Rohe, A., Göllner, C., Erdmann, F., Sippl, W., Schmidt, M. 1,2-Dipalmitoyl-3-(N-palmitoyl-6'-amino-6'-deoxy-α-D-glucosyl)-sn-glycerol is no inhibitor of the human Myt1 kinase. J. Enz. Inhib., 2014 Jun 18:1-4. doi:10.3109/14756366.2014.926343   

F. Ntie-Kang, L. Lifongo, C. Simoben, S. Babiaka, W. Sippl, L. Mbaze. The uniqueness and therapeutic value of natural products from West African medicinal plants, part I: Uniqueness, Chemotaxonomy. RSC Advances, 2014, 4, 28728-28755. doi:10.1039/C4RA03038A   

F. Ntie-Kang, P.A. Onguéné, L.L. Lifongo,J.C. Ndom, W. Sippl, L.M. Mbaze. The potential of anti-malarial compounds derived from African medicinal  plants, part II: a pharmacological evaluation of non-alkaloids and  non-terpenoids. Malar J. 2014 Mar 6;13(1):81. doi:10.1186/1475-2875-13-81   

D. A Stolfa, M. Marek, J. Lancelot, A.-T. Hauser, A. Walter, E. Leproult,
J. Melesina, T. Rumpf, J. M. Wurtz, J. Cavarelli, W. Sippl, R. J Pierce,
C. Romier, M. Jung.
Molecular basis for the anti-parasitic activity of a mercaptoacetamide  derivative that inhibits histone deacetylase 8 (HDAC8) from the human  pathogen Schistosoma mansoni. J. Mol. Biol. 2014, 426, 3442-3453. DOI:10.1016/j.jmb.2014.03.007    

K. Wichapong, A. Rohe, C. Platzer, I. Slynko, F. Erdmann, M. Schmidt, W. Sippl. Application of Docking and QM/MM-GBSA Rescoring to Identify Novel Myt1 Kinase Inhibitors. J. Chem. Inf. Model. 2014, 54, 881-93. doi:10.1021/ci4007326.   

M. L. Schmitt, K. I. Ladwein, L. Carlino, J. Schulz-Fincke, D. Willmann,
E. Metzger, P. Schilcher, A. Imhof, R. Schüle, W. Sippl, M. Jung.
Heterogeneous antibody based activity assay for lysine specific demethylase 1 (LSD1) on a histone peptide substrate. J Biomol Screening 2014, 19, 973-978.

K. A. Mahmoud , T. Wersig, I. Slynko, F. Totzke, C. Schächtele, M. Oelze,
W. Sippl, C. Ritter, and A. Hilgeroth.
Novel inhibitors of breast cancer relevant kinases Brk and HER2. Med. Chem. Comm. 2014, 5, 659-664. DOI:10.1039/c4md00028e    

K. A. Mahmoud, M. Krug, T. Wersig, I. Slynko, C. Schächtele, F. Totzke,
W. Sippl, and A. Hilgeroth.
Discovery of 4-anilino α-carbolines as novel Brk inhibitors. Bioorg Med Chem Lett. 2014, 24, 1948-1951. DOI:10.1016/j.bmcl.2014.03.002    

T. Wagner, D. Robaa, W. Sippl, M. Jung. Mind the Methyl - Methyl Lysine Binding Proteins in Epigenetic Regulation. Chem Med Chem, 2014, 9, 466-83. DOI:10.1002/cmdc.201300422    

I. Slynko, M. Scharfe, T. Rumpf, J. Eib, E. Metzger, R. Schüle, M. Jung,
W. Sippl.
Virtual  Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using  Binding  Free Energy Calculation and QSAR Model Development. J. Chem. Inf. Mod. 2014, 54, 138-150. DOI:10.1021/ci400628q    

M. Szermerski, J. Melesina, K. Wichapong, M. Löppenberg, J. Jose, W. Sippl, R. Holl. Synthesis, Biological Evaluation and Molecular Docking Studies of Benzyloxyacetohydroxamic Acids as LpxC Inhibitors. Bioorg Med Chem Lett 2014, 22, 1016-28. DOI:10.1016/j.bmc.2013.12.057    

F. Ntie-Kang, P. A. Ongu´en´e, M. Scharfe, L. C. Owono Owono,
E. Megnassan, L. Meva'a Mbaze, W. Sippl and S. M. N. Efange.
ConMedNP: a natural product library from Central African medicinal plants for drug discovery. RSC Adv. 2014, 4, 409-419.   

F. Ntie-Kang, S. Kannan, K. Wichapong, L. C Owono Owono,
E. Megnassan and W. Sippl. Binding of pyrazole-based inhibitors to Mycobacterium tuberculosis pantothenate synthetase: Docking and MM-GB(PB)SA. Mol. Biosystems 2014, 10, 223-239.

F. Ntie-Kang, L.L. Lifongo, P.N. Judson, W. Sippl and S.M.N. Efange. How "drug-like" are naturally occurring anti-cancer compounds? J. Mol. Model. 2014, 20, 1- 13. doi:10.1007/s00894-014-2069-z.   

A. Rohe, C. Henze, F. Erdmann, W. Sippl, M. Schmidt. A Fluorescence Anisotropy Based Myt1 Kinase Binding Assay. Assay Drug Dev Technol. 2014, 12, 136-44. DOI:10.1089/adt.2013.534