Resources for Chemical, Biological, and Structural Data on Natural Products

Ya Chen, Christina de Bruyn Kops, Johannes Kirchmair

Publications: Contribution to bookChapter

Abstract

Natural products from plants, marine life, animals, fungi, bacteria, and other organisms remain the most productive source of inspiration for small-molecule drug discovery. Today, a wealth of information on natural products that is particularly valuable to applications in cheminformatics is at our disposal. In this contribution, we provide a timely overview of relevant resources for measured chemical, biological, and structural data on natural products. In particular, we comment on the accessibility, scope, chemical space, and limitations of the individual data sources. The bottleneck of natural products remains the limited availability of material for testing. In this context, we analyze the number of natural products readily obtainable from commercial and other sources.

Original languageEnglish
Title of host publicationProgress in the chemistry of organic natural products
Pages37-71
Number of pages35
Volume110
DOIs
Publication statusPublished - 2019
Externally publishedYes

Publication series

SeriesProgress in the Chemistry of Organic Natural Products
ISSN2191-7043

Austrian Fields of Science 2012

  • 106005 Bioinformatics
  • 301207 Pharmaceutical chemistry

Keywords

  • Biological Products/chemistry
  • Chemistry, Pharmaceutical
  • Computational Biology
  • Drug Discovery
  • Cheminformatics
  • Vendors
  • Virtual screening
  • Chemical space
  • Databases
  • Components of traditional medicines
  • Natural products
  • Drug discovery
  • Readily obtainable natural products

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