Progress in the Chemistry of Organic Natural Products 110 Cheminformatics in Natural Product Research /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Kinghorn, A. Douglas (Editor, http://id.loc.gov/vocabulary/relators/edt), Falk, Heinz (Editor, http://id.loc.gov/vocabulary/relators/edt), Gibbons, Simon (Editor, http://id.loc.gov/vocabulary/relators/edt), Kobayashi, Jun'ichi (Editor, http://id.loc.gov/vocabulary/relators/edt), Asakawa, Yoshinori (Editor, http://id.loc.gov/vocabulary/relators/edt), Liu, Ji-Kai (Editor, http://id.loc.gov/vocabulary/relators/edt)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2019.
• Edition: 1st ed. 2019.
• Series: Progress in the Chemistry of Organic Natural Products, 110
• Subjects: Organic chemistry.; Pharmaceutical technology.; Medicinal chemistry.; Organic Chemistry.; Pharmaceutical Sciences/Technology.; Medicinal Chemistry.

The book summarizes important aspects of cheminformatics that are relevant for natural product research. It highlights cheminformatics tools that help to match natural products with their respective biological targets or off-targets, and discusses the potential and limitations of this approach.

Table of Contents:

• Resources for chemical, biological, and structural data on natural product
• The pharmacophore concept and its applications in computer-aided drug design
• Chemical space of natural products
• Cheminformatics analysis for natural product fragments
• A toolbox for the identification of modes of action of natural products
• A SWOT analysis of Cheminformatics in natural product research
• Open access prediction tools for natural products. Case study: hERG blockers.