Fundamental Concepts

Fundamental Concepts
Author: Fidele Ntie-Kang
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 480
Release: 2020-02-24
Genre: Science
ISBN: 3110579359

Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods.

Progress in the Chemistry of Organic Natural Products 110

Progress in the Chemistry of Organic Natural Products 110
Author: A. Douglas Kinghorn
Publisher: Springer Nature
Total Pages: 274
Release: 2019-10-16
Genre: Science
ISBN: 3030146324

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.

Natural Products in Clinical Trials

Natural Products in Clinical Trials
Author: Atta-ur- Rahman
Publisher: Bentham Science Publishers
Total Pages: 253
Release: 2018-03-03
Genre: Medical
ISBN: 1681082136

Natural products continue to play a key role in drug development. A recent analysis of the drug market in the developed world revealed that 40% of total clinically approved drugs were either unmodified natural products or their semi-synthetic derivatives. This book series focuses on reviews of exciting new bioactive natural products that have huge potential as drugs. It highlights the everlasting importance of natural products in our lives. Each volume brings reviews contributed by eminent scientists in the field. The first volume covers the following topics: - bioactive compounds from marine invertebrates - natural product derived drugs for immunological and inflammatory diseases - clinical trials of curcumin, camptothecin, astaxanthin, and biochanin - antibacterial and antifungal drugs from natural sources - natural products as anti-HIV medicines.

Applied Chemoinformatics

Applied Chemoinformatics
Author: Thomas Engel
Publisher: John Wiley & Sons
Total Pages: 660
Release: 2018-06-05
Genre: Science
ISBN: 352734201X

Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.

Advanced Concepts and Applications

Advanced Concepts and Applications
Author: Fidele Ntie-Kang
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 343
Release: 2021-11-22
Genre: Science
ISBN: 3110668890

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.

Natural Products Chemistry

Natural Products Chemistry
Author: Tatiana G. Volova
Publisher: CRC Press
Total Pages: 292
Release: 2020-11-17
Genre: Medical
ISBN: 1000751554

Natural Products Chemistry: Biomedical and Pharmaceutical Phytochemistry focuses on the development of biochemical, biomedical and their applications. It highlights the importance of accomplishing an integration of engineering with biology and medicine to understand and manage the scientific, industrial, and clinical aspects. It also explains both the basic science and the applications of biotechnology-derived pharmaceuticals, with special emphasis on their clinical use. The biological background provided enables readers to comprehend the major problems in biochemical engineering and formulate effective solutions. This title also expands upon current concepts with the latest research and applications, providing both the breadth and depth researchers need. The book also introduces the topic of natural products chemistry with an overview of key concepts. This book is aimed at professionals from industry, academicians engaged in chemical science or natural product chemistry research, and graduate-level students.

Theoretical and Computational Chemistry Aspects

Theoretical and Computational Chemistry Aspects
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 210
Release: 2021-10-25
Genre: Science
ISBN: 3110739763

Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.

Green and Sustainable Processing

Green and Sustainable Processing
Author: Ponnadurai Ramasami
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 177
Release: 2021-10-25
Genre: Science
ISBN: 3110726149

Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.

Applied Chemoinformatics

Applied Chemoinformatics
Author: Thomas Engel
Publisher: John Wiley & Sons
Total Pages: 744
Release: 2018-04-19
Genre: Science
ISBN: 3527806547

Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.