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December 05, 2013
Going Mobile: ChemMedChem iPad App Now Available!
The ChemMedChem iPad app is now available for download, and it's free! Accessing top-tier medicinal chemistry research articles has never been easier. The ChemMedChem iTunes preview page gives a brief overview of the features. Read more...
Recently Published Articles
- Structure-Based and Fragment-Based GPCR Drug Discovery
Dr. Stephen P. Andrews, Dr. Giles A. Brown and Dr. John A. Christopher
Article first published online: 18 DEC 2013 | DOI: 10.1002/cmdc.201300382
Significant advances in G protein-coupled receptor (GPCR) structural biology have been made over the past five years. More than 20 new X-ray crystal structures have been solved, transforming our understanding of how small molecules bind to the receptors and modulate their activity. Structure-based drug discovery techniques can now be applied to GPCRs, and these approaches are reviewed in this context, together with fragment-based drug discovery strategies, which are also gaining momentum for this major class of receptor targets.
- Towards Selective Inhibition of Histone Deacetylase Isoforms: What Has Been Achieved, Where We Are and What Will Be Next
Dr. Florian Thaler and Dr. Ciro Mercurio
Article first published online: 16 DEC 2013 | DOI: 10.1002/cmdc.201300413
Finding the differences: Histone deacetylases (HDACs) have been intensively studied targets for the treatment of cancer or other diseases for almost two decades, resulting in over 20 inhibitors in clinical studies and two compounds with market approval. However, the development of isoform-selective compounds has proven to be a difficult task, and several insights were gained only recently. This Minireview focuses on these recent biology and medicinal chemistry efforts.
- Monovinyl Sulfone β-Cyclodextrin. A Flexible Drug Carrier System
Dr. Teresa del Castillo, Dr. Julia Marales-Sanfrutos, Prof. Francisco Santoyo-González, Dr. Stefan Magez, Dr. F. Javier Lopez-Jaramillo and Dr. Jose A. Garcia-Salcedo
Article first published online: 13 DEC 2013 | DOI: 10.1002/cmdc.201300385
HAT on the hit list: Monovinyl sulfone β-cyclodextrin is a flexible drug carrier that can target various organs with different drugs when coupled to a suitable targeting biomolecule and upon formation of an inclusion complex with the selected active principle. Its coupling to a nanobody raised against T. brucei and loading with nitrofurazone yields a system that targets the surface of the parasite and shows trypanocidal activity.
- Design, Synthesis and Structure–Activity Relationships Studies on the D Ring of the Natural Product Triptolide
Hongtao Xu, Huanyu Tang, Huijin Feng and Prof. Yuanchao Li
Article first published online: 11 DEC 2013 | DOI: 10.1002/cmdc.201300409
Chinese medicine, modified! Analogues of triptolide, a diterpene triepoxide natural product from the Chinese medicinal plant Tripterygium wilfordii Hook F, were designed and synthesized to probe the structure–activity relationships of the five-membered unsaturated lactone D ring. This ring system was found to be critical for potency, but could be modified without complete loss of activity.
- Fluorine NMR-Based Screening on Cell Membrane Extracts
Marina Veronesi, Dr. Elisa Romeo, Chiara Lambruschini, Prof. Dr. Daniele Piomelli, Dr. Tiziano Bandiera, Dr. Rita Scarpelli, Dr. Gianpiero Garau and Dr. Claudio Dalvit
Article first published online: 11 DEC 2013 | DOI: 10.1002/cmdc.201300438
Membrane-bound is better: A homogeneous and robust 19F NMR-based functional screening assay on cell extracts was developed for the identification of inhibitors against membrane-bound enzymes and for the determination of their IC50 values. This approach allows the discovery of novel binding fragments against targets known to be difficult to purify or where membrane-association is required for activity.