LifeCheMyriads Space is integrated into BioSolveIT’s advanced chemical space navigation and structure-based screening technologies
Life Chemicals is happy to announce its collaboration with BioSolveIT, enabling researchers to explore LifeCheMyriads Space of more than 53 billion synthetically accessible compounds through BioSolveIT’s powerful chemical space navigation and screening technologies.
Now, search beyond the structural limitations of conventional screening collections and accessing broader regions of medicinally relevant chemical space is powerfully facilitated by fast chemistry-aware computational approaches.
Multiple Ways to Search Billions of Tangible Compounds
Through BioSolveIT’s infiniSee® and related Chemical Space technologies, LifeCheMyriads can be probed most thoroughly without requiring full enumeration of the entire virtual library. Instead, researchers can conveniently select the strategy best suited to their drug discovery objective:
- Analogue searching for rapid identification of close structural analogues and SAR exploration
- Substructure, motif and SMARTS searching for fragment-based discovery and substructure-driven screening campaigns
- Scaffold hopping to identify structurally distinct compounds with similar pharmacophoric characteristics
- Pharmacophore-based exploration to discover chemically diverse alternatives to known molecules
This integration does create exceptional routes to move well beyond trivial identification of compounds similar to known hits. What is more, unique chemical entities are to be found among billions of synthesizable structures!
Structure-Based Screening in 3D
The collaboration also enables structure-based screening of LifeCheMyriads through Chemical Space Docking® in SeeSAR.
Rather than enumerating and docking billions of molecules individually, compatible building blocks can be identified, assembled and evaluated directly within a target binding site. Thus, an enormous amount of synthesis-ready chemical space can be covered while concentrating the best computational resources on its highly promising areas.
From Chemical Space to Real Compounds
A key advantage of LifeCheMyriads is that its virtual compounds are generated using experimentally validated synthetic chemistry, making the most attractive hits readily synthesizable on demand.
It should be emphasized that the Life Chemicals–BioSolveIT collaboration remarkably solves the problem of effectively linking:
53+ billion synthesizable compounds → advanced chemical space search → virtual hit identification → on-demand synthesis → experimental validation!
Supporting virtual screening, hit discovery, hit expansion, scaffold hopping, fragment-based drug discovery and lead optimization, this platform offers invaluable tools to those who need practical access to chemical diversity overreaching standard screening libraries.
Explore LifeCheMyriads through BioSolveIT and discover new opportunities in ultra-large, synthesis-ready chemical space!