Li Feng

TL;DR: It is demonstrated that inert (stable) octahedral metal complexes are sophisticated structural scaffolds for the design of highly selective chemical probes.

TL;DR: A cocrystal structure of PAK1 with Lambda-FL172 reveals how the large coordination sphere of the ruthenium complex matches the size of the active site and serves as a yardstick to discriminate between otherwise closely related binding sites.

TL;DR: A metal complex is identified in which the metal fulfills two independent functions: as a structural scaffold for the specific molecular recognition of protein kinases resulting in antiangiogenic properties, together with a visible-light-induced photoreactivity triggering apopotosis in cancer cells.

TL;DR: This work develops a nonfitting scoring function, which consists of gas‐phase protein‐ligand binding enthalpy obtained by the eXtended ONIOM hybrid method based on an integration of density functional theory (DFT) methods, and solvation free energy based on DFT‐SMD solvation model, and entropy effect estimated by using DFT frequency analysis.

TL;DR: 1,3-Dihydro-2H-indol-2.2.1 (1) undergoes microwave-mediated Knoevenagel condensations with 1,2,3,4,5-pentaphenylferrocene carboxaldehyde (2b) or (η4-tetraphenylcyclobutadiene)(η5-cyclopentadienylcarboxaldehyde)cobalt (2c) to afford metallocene-substituted 3-methylidene-1