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; Rene de Gelder

doi:10.26434/chemrxiv.13562795.v2

Inorganic Chemistry

Search within Inorganic Chemistry

Co-crystals of Praziquantel: Discovery by Network-Based Link Prediction

Working Paper

Jan-Joris Devogelaer Radboud University ,
Maxime D. Charpentier ,
Arnoud Tijink ,
Valérie Dupray ,
Gérard Coquerel ,
Karen Johnston ,
Hugo Meekes ,
Paul Tinnemans ,
Elias Vlieg ,
Joop H. ter Horst ,
Rene de Gelder

Show author details

Abstract

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.