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

by A. Douglas Kinghorn, Heinz Falk, Simon Gibbons, Jun'ichi Kobayashi, Yoshinori Asakawa

Overview

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.

Product Details

ISBN-13:	9783030146313
Publisher:	Springer International Publishing
Publication date:	10/17/2019
Series:	Progress in the Chemistry of Organic Natural Products , #110
Edition description:	1st ed. 2019
Pages:	271
Product dimensions:	6.10(w) x 9.25(h) x (d)

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.