We are happy to share our new co-authored article and thank all the authors for a productive collaboration: Kaylen R. Meeks, Juan Ji, Mykola V. Protopopov, Olga O. Tarkhanova, Yurii S. Moroz, and John J. Tanner

  

The paper is dedicated to the application of a fragment-based, structure-first approach to discover new PYCR1 inhibitors. Utilizing molecular docking and X-ray crystallography as a primary assay, the authors selected eight hit compounds. Four of them show inhibition by some of PYCR1 in kinetic assays. Generally, the hit rate was around 22%.

 

The full paper you can find here.

 

Chemspace Publications | Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography