The current Issue of ChemistryOpen includes an exciting Communication on a Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor. Eric Meggers, Holger Steuber and co-workers present an organometallic inhibitor scaffold for Pim kinases. These are interesting targets for cancer therapy as they are overexpressed in various human cancers. Usually kinase inhibitors are ATP competitive. However, as shown in a cocrystal structure with Pim1, their presented organometallic compound (based on a cyclometalated 1,8-phenanthrolin-7(8H)-one ligand) presents an unexpected non-hinge binding scaffold and could be a suitable lead structure for the development of potent and selective non-hinge-binding ATP-competitive inhibitors of Pim kinases.
In the Full Paper of this issue, Giampaolo Barone, F. Matthias Bickelhaupt and co-workers report on their dispersion-corrected density functional studies for the investigation of the DNA double helix structure. They calculate how B-DNA structure stability correlates with its nucleic acid composition and are able to show that the stability of the structure not only depends on the number of hydrogen bonds in Watson-Crick base pairs but also depends on the base pair order and orientation.
The newest contribution to ChemistryOpen‘s Thesis Treasury from Rafael Gramage-Doria features metallocyclodextrins. In his thesis he found that upon encapsulation of metal fragments in the cavity of a b-cyclodextrin-derived diphosphane, otherwise unstable metal species can be formed and coordination processes can be slowed down, which allows investigating mechanistic pathways for carbon-carbon bond-forming reactions.
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