Strategic Expansion and Management of Chemical Libraries for Drug Discovery

• DOI: 10.1002/bkcs.11478
• Publication Date: 2018-06-06T15:20:03Z
• Authors: Inhee Choi; Yoonae Ko; Honggun Lee; Kideok Kim; Constantin Radu
• Keywords: Chemical space; Replicate; Chemical library

The extensive chemical space provides options of selecting molecules that are unique and diverse to build a truly custom made screening library. Finding the right compound from high‐throughput (HTS) could be optimized drug candidate is no simple task. Selecting meaningful compounds multitude commercially available critical; over years Institut Pasteur Korea (IPK), whose mission eliminate global threat infectious disease, had built selected library proprietary sensitive encompass structural diversity aspect. To obtain diversity, lead‐like Bemis–Murcko substructures were generated IPK legacy collections, those with different selected. Furthermore, fingerprints used select subsets compounds. Based on analyses whole structures substructures, we set utilize against several diseases models provided at IPK. We implemented strategic approach managing by taking into consideration stability while maintaining integrity. Automated liquid handlers compress replicate libraries various concentrations. Emerging rise unpredictable in health landscape; using carefully for can make difference finding our next