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Developing a drug-like natural product library.

Ronald J Quinn1, Anthony R Carroll, Ngoc B Pham

  • 1Eskitis Institute, Griffith University, Brisbane, Australia. r.quinn@griffith.edu.au

Journal of Natural Products
|February 9, 2008
PubMed
Summary
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Natural products offer rich chemical diversity for drug discovery. A new library of 814 natural products was created, with 85% meeting Lipinski's "rule of five" drug-likeness criteria.

Area of Science:

  • Medicinal Chemistry
  • Natural Products Chemistry

Background:

  • Drug discovery programs prioritize drug-like and lead-like properties of small molecules.
  • Lipinski's
  • rule of five

Purpose of the Study:

  • To assess the drug-like and lead-like properties of natural products.
  • To generate a natural product library (NPL) enriched in drug-like compounds.

Main Methods:

  • Analysis of The Dictionary of Natural Products for compounds adhering to Lipinski's
  • rule of five
  • Isolation of 814 natural products based on predicted drug-like properties.

Main Results:

  • 60% of compounds in The Dictionary of Natural Products met Lipinski's criteria.

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  • 85% of the isolated natural products in the NPL met Lipinski's criteria.
  • The NPL demonstrates the feasibility of obtaining diverse natural products with suitable physicochemical properties.

    • Conclusions:

    • Natural products can be a valuable source of drug-like compounds for discovery programs.
    • Early consideration of lead-like properties in natural product isolation is feasible and beneficial.
    • The generated NPL can accelerate natural product drug discovery by providing compounds with favorable drug-like properties.