Co-crystals of Praziquantel: Discovery by Network-Based Link Prediction
Jan‐Joris Devogelaer, Maxime D. Charpentier, Arnoud Tijink, Valérie Dupray, Gérard Coquerel, Karen Johnston, Hugo Meekes, Paul Tinnemans, Elias Vlieg, Joop H. ter Horst, R. De Gelder · ChemRxiv · 2021
In this study, co-crystals for Praziquantel (PZQ), an anthelmintic drug used to treat schistosomiasis, are predicted with network-based link prediction. Single crystals of twelve co-crystal indications were grown and subjected to a structural analysis with single-crystal X-ray diffraction.