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Development of a chemogenomics library for phenotypic screening.

Bryan Dafniet1, Natacha Cerisier1, Batiste Boezio1

  • 1Université de Paris, INSERM U1133, CNRS UMR8251, 75006, Paris, France.

Journal of Cheminformatics
|November 25, 2021
PubMed
Summary

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Phenotypic drug discovery (PDD) is enhanced by a new system pharmacology network and chemogenomic library. This platform aids in identifying drug targets and mechanisms for novel therapeutics.

Area of Science:

  • Pharmacology
  • Computational Biology
  • Drug Discovery

Background:

  • Phenotypic drug discovery (PDD) is a valuable approach for identifying novel therapeutics but requires target identification and mechanism deconvolution.
  • Cell-based phenotypic screening, particularly high-content imaging assays like Cell Painting, generates rich morphological data.
  • Integrating diverse biological data is crucial for advancing PDD.

Purpose of the Study:

  • To develop a system pharmacology network integrating drug-target-pathway-disease relationships and morphological profiles.
  • To create a chemogenomic library of 5000 small molecules for target identification and mechanism deconvolution in PDD.
  • To provide a platform that assists in understanding phenotypic assays.

Main Methods:

  • Developed a system pharmacology network by integrating drug-target-pathway-disease relationships.
Keywords:
Chemical biologyChemogenomicsNetwork pharmacologyPhenotypic drug discoveryPhenotypic screeningSystem pharmacology network

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  • Incorporated morphological profiles from Cell Painting high-throughput phenotypic profiling assays.
  • Constructed a chemogenomic library of 5000 diverse small molecules targeting various biological effects and diseases.

    • Main Results:

    • Successfully integrated multi-omics data into a comprehensive system pharmacology network.
    • Established a chemogenomic library of 5000 small molecules, enabling diverse target coverage.
    • Demonstrated the platform's utility through illustrative examples in target identification and mechanism deconvolution.

    Conclusions:

    • The developed system pharmacology network and chemogenomic library offer a powerful platform for phenotypic drug discovery.
    • This integrated approach facilitates target identification and mechanism deconvolution for phenotypic assays.
    • The platform has the potential to accelerate the development of novel and safe drugs.