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Related Experiment Videos

Pharmaceutical profiling in drug discovery.

Edward H Kerns1, Li Di

  • 1Discovery Analytical Chemistry, Chemical Sciences, Wyeth Research, CN 8000, Princeton, NJ 08543-8000, USA. kernse@wyeth.com

Drug Discovery Today
|March 26, 2003
PubMed
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Drug discovery organizations are enhancing their measurement of crucial drug-like properties. This pharmaceutical profiling strategy improves experimental planning and candidate selection by analyzing structure-property relationships (SPR).

Area of Science:

  • Medicinal Chemistry
  • Drug Discovery
  • Pharmacokinetics

Background:

  • Drug discovery research organizations are developing capabilities to measure key drug-like properties.
  • Structure-property relationship (SPR) data complements existing structure-activity relationship (SAR) information.

Purpose of the Study:

  • To outline a pharmaceutical profiling strategy for enhancing drug discovery.
  • To enable research teams to better plan and interpret experiments.
  • To improve the selection of drug candidates for advancement.

Main Methods:

  • High-throughput assays for physicochemical properties (solubility, permeability, lipophilicity, stability, pKa).
  • In vitro ADME assays (metabolism, transporters, protein binding, CYP inhibition).

Related Experiment Videos

  • In vivo pharmacokinetic (PK) and exposure studies.

    • Main Results:

    • Generation of extensive data on drug-like properties.
    • Identification of potential liabilities early in the discovery process.
    • Informed decision-making for selecting optimal drug candidates.

    Conclusions:

    • Pharmaceutical profiling using SPR data is crucial for efficient drug discovery.
    • Comprehensive property measurement aids in mitigating risks and advancing promising candidates.
    • This strategy supports the development of safer and more effective therapeutics.