Progress in the Chemistry of Organic Natural Products 110

Cheminformatics in Natural Product Research

A. Douglas Kinghorn, Heinz Falk, Simon Gibbons, Jun'ichi Kobayashi, Yoshinori Asakawa, Ji-Kai Liu (Herausgeber)

Buch | Softcover

VII, 271 Seiten

2020 | 1st ed. 2019
Springer International Publishing (Verlag)
978-3-030-14634-4 (ISBN)

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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.

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.

Erscheinungsdatum	30.10.2020
Reihe/Serie	Progress in the Chemistry of Organic Natural Products
Zusatzinfo	VII, 271 p. 92 illus., 26 illus. in color.
Verlagsort	Cham
Sprache	englisch
Maße	155 x 235 mm
Gewicht	433 g
Themenwelt	Medizin / Pharmazie ► Pharmazie
	Naturwissenschaften ► Biologie ► Biochemie
	Naturwissenschaften ► Chemie ► Organische Chemie
	Naturwissenschaften ► Chemie ► Technische Chemie
Schlagworte	chemoinformatic analysis • Chemoinformatics • computer-aided drug design • natural product • natural product research
ISBN-10	3-030-14634-0 / 3030146340
ISBN-13	978-3-030-14634-4 / 9783030146344
Zustand	Neuware