We are excited to announce that the Chemspace team ranked among the top 5 performers in the recently concluded CACHE challenge #2!
This global open science challenge aimed to design molecules that bind to the most conserved site on the NSP13 helicase, as a new treatment effective against all coronaviruses. Twenty-three worldwide teams applied various computational approaches to achieve this goal.
By harnessing the power of V-SYNTHES MolSoft ICM-Pro, a groundbreaking virtual synthon hierarchical enumeration screening approach, and the vast molecular diversity of Enamine xREAL Space (176B), we uncovered molecules with experimentally confirmed to bind to the target with KD hits range 14.38-261.35 µM – a testament to the potential of both our method and teamwork.
We are proud of our team's expertise and the strength of our approach, and we will be excited to assist in finding active compounds for your projects, utilizing the immense 2.7T xREAL Space through the advanced capabilities of V-SYNTHES MolSoft ICM-Pro.
