ENGLISH

Chemoinformatics of Natural Products: Volume 2 Advanced Concepts and Applications

Book information

Publisher
de Gruyter
Year
2021
ISBN
9783110668896, 9783110668889
Language
english
Format
PDF
Filesize
7 MB (7433086 bytes)
Pages
343\346
Time added
2023-05-30 14:48:59

Description

Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included. Tools for toxicity prediction and drug property prediction. An enumeration of compounds. scaffolds and functional groups in nature Computational methods for lead identification. Metabolite biosynthesis, etc. Includes case studies and tutorials. Contents List of contributors About the Editor Part I: Advanced Chemoinformatics Concepts for Natural Product-based Drug Discovery 1 An enumeration of natural products from microbial, marine and terrestrial sources 2 A chemoinformatic analysis of atoms, scaffolds and functional groups in natural products 3 Chemical similarity methods for analyzing secondary metabolite structures Part II: Advanced Chemoinformatics Tools and Methods for Lead Compound Discovery and Development 4 Fragment-based drug design of nature-inspired compounds 5 Prediction of modes of action of components of traditional medicinal preparations 6 Mechanistic role of plant-based bitter principles and bitterness prediction for natural product studies I: Database and methods 7 Mechanistic role of plant-based bitter principles and bitterness prediction for natural product studies II: prediction tools and case studies 8 Toxicity of secondary metabolites Part III: Chemoinformatics Tools for Natural Products Discovery in the Modern Age and Case Studies 9 Rational engineering of specialized metabolites in bacteria and fungi 10 Epigenetic modification, co-culture and genomic methods for natural product discovery Part IV: Case Studies 11 Case studies on computer-based identification of natural products as lead molecules 12 A computer-based approach for developing linamarase inhibitory agents Part V: Tutorials and Glossary 13 Searching natural product databases 14 From genes to secondary metabolites Glossary of terms used in chemoinformatics of natural products: advanced concepts and applications Index

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