Novartis Institutes for Biomedical Research recently published the paper Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline. They report using Spark™, Cresset’s scaffold hopping application, to find core replacements for the indazole moiety of compound 6 in Figure 1. Visual selection of the most promising top-ranking Spark results and further optimization studies led to the identification of novel LpxC inhibitors with subnanomolar binding to LpxC and in vivo antibacterial activity against P. aeruginosa and other Gram-negative bacteria.
Read in full: https://www.cresset-group.com/2019/03/spark-lpxc/