Enumerating the DEL design chemical space
The Chemical drug-able space is very large but new technologies like DNA encoded libraries are sampling a bigger fraction of it. However, we still need to learn how to navigate the DEL chemical space to get the best out of it.
Catalytic Asymmetric C-Si Bond Activation via Torsional Strain-Promoted Rh-Catalyzed Aryl-Narasaka Acylation
Aryl Narasaka acylation is realized by the catalysis of chiral rhodium complex which is in situ formed of [Rh(CO)2Cl]2 and phosphoramidite ligand. Computational studies show that the storioanl stain is about 12.58 kcal mol-1, which efficiently accelerate the C-Si bond cleavage.
Vernalis and Diamond turbocharge structure-based optimization of compounds
The high throughput crystallography facility at Diamond (XChem) can be combined with screening of crude reaction mixtures to rapidly identify how to improve the affinity of compounds (fragments and hits) binding to a protein to provide new chemical tools or start points for drug discovery.
