Research never stops

Publications 2015

Title Source

Evaluation of water displacement energetics in protein binding sites with grid cell theory

Bodkin M., Law, R., Mazanetz M.P. et al
Phys Chem Chem Phys., 2015, 17, 8416

Modeling of ribonucleic acid–ligand interactions

Stefaniak, F., Chudyk, E. I., Bodkin, M. et al.

WIREs Comput Mol Sci 2015

Targeting the podocyte to treat glomerular kidney disease

Lal, M. A., Young, K. W., Andag, U.

Drug Discovery Today, 2015, Jun 19 

Binding mode and structure-activity relationships around direct inhibitors of the Nrf2-Keap1 complex

Jnoff, E., Albrecht, C., Barker, J.J. et al.

ChemMedChem., 2014 April, 9 (4), 699-705


Discovery of novel amino-pyrimidine inhibitors of the insulin-like growth factor 1 (IGF1R) and insulin receptor (INSR) kinases; parallel optimization of cell potency and hERG inhibition

Tye, H., Guertler, U., Hofmann, M. H., et al.

Med. Chem. Commun., 2015, 6, 1244-1251

Pareto Optimization Identifies Diverse Set of Phosphorylation Signatures Predicting Response to Treatment with Dasatinib

Klammer, M.; Dybowski, J. N.; Schaab, C. et al.

PLoS One 2015, 10 (6), e0128542

Characterization of HTT Inclusion Size, Location, and Timing in the zQ175 Mouse Model of Huntington´s Disease: An In Vivo High-Content Imaging Study

Carty, N.; Berson, N.; Tillack, K. et al.
PLoS One 2015, 10 (4), e0123527

Targeting deubiquitinase activity with a novel small-molecule inhibitor as therapy for B-cell malignancies

Peterson, L. F.; Ermann, M.; Courtney, S. M. et al.

Blood 2015, 125, 3588-3597

Systematic evaluation of label-free and super-SILAC quantification for proteome expression analysis

Tebbe, A.; Klammer, M.; Sighart, S. et al.
Rapid Communications in Mass Spectrometry, 2015, 29, 9, 795-801

Evaluation of water displacement energetics in protein binding sites with grid cell theory 

Gerogiokas, G.; Southey, M.W.Y.; Mazanetz, M.P. et al.
Phys. Chem. Chem. Phys., 2015, 17, 8416-8426

Synthesis, SAR, and Series Evolution of Novel Oxadiazole-Containing 5-Lipoxygenase Activating Protein Inhibitors: Discovery of 2-[4-(3-{(R)-1-[4-(2-Amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915)

Takahashi, H.; Crux, R.; Dines, J. A. et al.

J. Med. Chem., 2015, 58 (4), 1669–1690

Identification of 12/15-lipoxygenase as a regulator of axon degeneration through high content screening

Rudhard, Y.; Ghosh,A. S.; Lippert, B.

The Journal of Neuroscience, 2015, 35(7), 2927-2941

Quantitative proteomics of kinase inhibitor targets and mechanisms

Daub., H.

ACS Chemical Biology, 2015, 10, 201-212

Selective CB2 receptor agonists. Part 3: The optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model

Bartolozzi, A., Albrecht, C., Gemkow, M. et al.

Bioorganic & Medicinal Chemistry Letters, 2015, 25, 587-592

Selective CB2 receptor agonist. Part 2: Structure-acitivity relationship studies and optimization or proline-based compounds

Riether, D., Jenkins, J.E., Albrecht, C. et al.

Bioorganic & Medicinal Chemistry Letters, 2015, 25, 581-586

Selective CB2 receptor agonist. Part 1: The identification of novel ligands through computer-aided drug design (CADD) approaches

Hickey, E.R., Ermann, M., Albrecht, C. et al.

Bioorganic & Medicinal Chemistry Letters, 2015, 25, 575-580

In vitro susceptibility of Clostridium difficile to SMT19969
and comparators, as well as the killing kinetics and post-antibiotic effects of SMT19969 and comparators against C. difficile

Birchall, S., Corbett, D., Wise, A., et. al.

Journal of Antimicrobial Chemotherapy, 2015,

Volume 70, Issue 6, 1, 1751–1756