Computational Phytochemistry

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Computational Phytochemistry

Author : Satyajit Dey Sarker
Publisher : Elsevier
ISBN 13 : 0443161038
Total Pages : 532 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Computational Phytochemistry by : Satyajit Dey Sarker

Download or read book Computational Phytochemistry written by Satyajit Dey Sarker and published by Elsevier. This book was released on 2024-03-15 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research Features clearly illustrated chapters contributed by highly reputable researchers Covers all key areas in phytochemical research, including virtual screening and metabolomics

Phytochemistry, Computational Tools and Databases in Drug Discovery

Author : Chukwuebuka Egbuna
Publisher : Elsevier
ISBN 13 : 0323905935
Total Pages : 492 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Phytochemistry, Computational Tools and Databases in Drug Discovery by : Chukwuebuka Egbuna

Download or read book Phytochemistry, Computational Tools and Databases in Drug Discovery written by Chukwuebuka Egbuna and published by Elsevier. This book was released on 2022-08-15 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds. Useful for drug developers, medicinal chemists, toxicologists, phytochemists, plant biochemists and analytical chemists, this book clearly presents the various computational techniques, tools and databases for phytochemical research. Provides the various databases, methods and procedures for computational drug discovery in plants Includes insights into the predictors for properties of phytochemicals against different diseases Discusses the applications of computational tools and their databases

Phytochemistry, Computational Tools, and Databases in Drug Discovery

Author : Chukwuebuka Egbuna
Publisher : Elsevier
ISBN 13 : 0323907164
Total Pages : 494 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Phytochemistry, Computational Tools, and Databases in Drug Discovery by : Chukwuebuka Egbuna

Download or read book Phytochemistry, Computational Tools, and Databases in Drug Discovery written by Chukwuebuka Egbuna and published by Elsevier. This book was released on 2022-11-30 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds. Useful for drug developers, medicinal chemists, toxicologists, phytochemists, plant biochemists and analytical chemists, this book clearly presents the various computational techniques, tools and databases for phytochemical research. Provides the various databases, methods and procedures for computational drug discovery in plants Includes insights into the predictors for properties of phytochemicals against different diseases Discusses the applications of computational tools and their databases

Phytochemistry

Author : Chukwuebuka Egbuna
Publisher : CRC Press
ISBN 13 : 0429760337
Total Pages : 658 pages
Book Rating : 4.4/5 (297 download)

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Book Synopsis Phytochemistry by : Chukwuebuka Egbuna

Download or read book Phytochemistry written by Chukwuebuka Egbuna and published by CRC Press. This book was released on 2018-12-12 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first book in this three-volume set provides comprehensive coverage of a wide range of topics in phytochemistry. With chapters from professional specialists from key institutions around the world, the volume starts with an introduction to phytochemistry and details the fundamentals. Part II discusses the state-of-the-art modern methods and techniques in phytochemical research, while Part III provides an informative overview of computational phytochemistry and its applications. Part IV presents novel research findings in the discovery of drugs that will be effective in the treatment of diseases. The chapters are drawn carefully and integrated sequentially to aid flow, consistency, and continuity.

Phytochemistry

Author : Chukwuebuka Egbuna
Publisher : CRC Press
ISBN 13 : 0429760329
Total Pages : 665 pages
Book Rating : 4.4/5 (297 download)

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Book Synopsis Phytochemistry by : Chukwuebuka Egbuna

Download or read book Phytochemistry written by Chukwuebuka Egbuna and published by CRC Press. This book was released on 2018-12-12 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first book in this three-volume set provides comprehensive coverage of a wide range of topics in phytochemistry. With chapters from professional specialists from key institutions around the world, the volume starts with an introduction to phytochemistry and details the fundamentals. Part II discusses the state-of-the-art modern methods and techniques in phytochemical research, while Part III provides an informative overview of computational phytochemistry and its applications. Part IV presents novel research findings in the discovery of drugs that will be effective in the treatment of diseases. The chapters are drawn carefully and integrated sequentially to aid flow, consistency, and continuity.

Phytochemistry, 3-Volume Set

Author : Chukwuebuka Egbuna
Publisher : CRC Press
ISBN 13 : 0429760485
Total Pages : 1806 pages
Book Rating : 4.4/5 (297 download)

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Book Synopsis Phytochemistry, 3-Volume Set by : Chukwuebuka Egbuna

Download or read book Phytochemistry, 3-Volume Set written by Chukwuebuka Egbuna and published by CRC Press. This book was released on 2022-05-30 with total page 1806 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 3-volume set, Phytochemistry, covers a wide selection of topics in phytochemistry and provides a wealth of information on the fundamentals, new applications, methods and modern analytical techniques, state-of-the-art approaches, and computational techniques. With chapters from professional specialists in their fields from around the world, the volumes deliver a comprehensive coverage of phytochemistry. Phytochemistry is a multidisciplinary field, so this book will appeal to students in both upper-level students, faculty, researchers, and industry professionals in a number of fields, including biological science, biochemistry, pharmacy, food and medicinal chemistry, systematic botany and taxonomy, ethnobotany, conservation biology, plant genetic and metabolomics, evolutionary sciences, and plant pathology.

Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants

Author : Mohd Adnan
Publisher : CRC Press
ISBN 13 : 1000923142
Total Pages : 668 pages
Book Rating : 4.0/5 (9 download)

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Book Synopsis Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants by : Mohd Adnan

Download or read book Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants written by Mohd Adnan and published by CRC Press. This book was released on 2023-08-31 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: Medicinal and aromatic plants are beneficial to human health. Plant-derived molecules possess biological activities that can be used to prevent many infectious diseases and metabolic disorders. Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants summarizes techniques and methods used to study the biological activities of plant-derived extracts and compounds to study ethnobotanical and ethnopharmacological features of medicinal and aromatic plants. This book: Includes computational approaches to study the pharmacological properties of biomolecules in medicinal and aromatic plants. Details methods in ethnopharmacology including chromatographical and analytical techniques. Demonstrates trends in sustainable use and management of medicinal and aromatic plants. Features information on databases and tools used in computational phytochemistry for drug designing and discovery. Elucidates the importance of phytochemicals as immunomodulators in herbal drug development including their nanoformulations. A volume in the Exploring Medicinal Plants series, Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants will be of interest to those working with plant extracts, including botanists and ethnobotanists, pharmacologists and ethnopharmacologists, as well as scientists and researchers interested in natural compounds and their potential applications.

Electronic Systems and Intelligent Computing

Author : Pradeep Kumar Mallick
Publisher : Springer Nature
ISBN 13 : 9811570310
Total Pages : 1126 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Electronic Systems and Intelligent Computing by : Pradeep Kumar Mallick

Download or read book Electronic Systems and Intelligent Computing written by Pradeep Kumar Mallick and published by Springer Nature. This book was released on 2020-09-22 with total page 1126 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents selected, high-quality research papers from the International Conference on Electronic Systems and Intelligent Computing (ESIC 2020), held at NIT Yupia, Arunachal Pradesh, India, on 2 – 4 March 2020. Discussing the latest challenges and solutions in the field of smart computing, cyber-physical systems and intelligent technologies, it includes papers based on original theoretical, practical and experimental simulations, developments, applications, measurements, and testing. The applications and solutions featured provide valuable reference material for future product development.

Design of Experiments for Chemical, Pharmaceutical, Food, and Industrial Applications

Author : Carrillo-Cedillo, Eugenia Gabriela
Publisher : IGI Global
ISBN 13 : 179981520X
Total Pages : 429 pages
Book Rating : 4.7/5 (998 download)

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Book Synopsis Design of Experiments for Chemical, Pharmaceutical, Food, and Industrial Applications by : Carrillo-Cedillo, Eugenia Gabriela

Download or read book Design of Experiments for Chemical, Pharmaceutical, Food, and Industrial Applications written by Carrillo-Cedillo, Eugenia Gabriela and published by IGI Global. This book was released on 2019-12-13 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: Statistics is a key characteristic that assists a wide variety of professions including business, government, and factual sciences. Companies need data calculation to make informed decisions that help maintain their relevance. Design of experiments (DOE) is a set of active techniques that provides a more efficient approach for industries to test their processes and form effective conclusions. Experimental design can be implemented into multiple professions, and it is a necessity to promote applicable research on this up-and-coming method. Design of Experiments for Chemical, Pharmaceutical, Food, and Industrial Applications is a pivotal reference source that seeks to increase the use of design of experiments to optimize and improve analytical methods and productive processes in order to use less resources and time. While highlighting topics such as multivariate methods, factorial experiments, and pharmaceutical research, this publication is ideally designed for industrial designers, research scientists, chemical engineers, managers, academicians, and students seeking current research on advanced and multivariate statistics.

High-Resolution Mass Spectroscopy for Phytochemical Analysis

Author : Sreeraj Gopi
Publisher : CRC Press
ISBN 13 : 1000353613
Total Pages : 240 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis High-Resolution Mass Spectroscopy for Phytochemical Analysis by : Sreeraj Gopi

Download or read book High-Resolution Mass Spectroscopy for Phytochemical Analysis written by Sreeraj Gopi and published by CRC Press. This book was released on 2021-09-30 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new volume provides a bird’s-eye view of the properties, utilization, and importance of high resolution mass spectrometry (HRMS) for phytochemical analysis. The book discusses the new and state-of-the-art technologies related to HRMS in phytochemical analysis for the food industry in a comprehensive manner. Phytochemical characterization of plants is important in the food and nutraceutical industries and is also necessary in the procedures followed for drug development, toxicology determination, forensic studies, origin verification, quality assurance, etc. Easy determination of active compounds and isolation as well as purification of the same from natural matrices are required, and the possibilities and advantages of HRMS pave the way for improved analysis patterns in phytochemistry. This book is unique in that its sole consideration is on the importance of HRMS in the field of phytochemical analysis. Along with an overview of basic instrumental information, the volume provides a detailed account of data processing and dereplication strategies. Technologies such as bioanalytical techniques and bioassays are considered also to provide support for the functions of the instruments used. In addition, a case study is presented to depict the complete phytochemical characterization of a matrix by HRMS. The book covers processing and computational techniques, dereplication, hyphenation, high-resolution bioassays, bioanalytical screening/purification techniques, applications of gas chromatography–high-resolution mass spectrometry, and more. Key features: Covers the fundamental instrumentation and techniques Discusses HRMS-based phytochemical research details Focuses strictly on the phytochemical considerations High-Resolution Mass Spectroscopy for Phytochemical Analysis: State-of-the-Art Applications and Techniques will be a valuable reference guide and resource for researchers, faculty and students in related fields, as well as those in the phytochemical industries.

Phytochemistry, 3-Volume Set

Author : Chukwuebuka Egbuna
Publisher :
ISBN 13 : 9781771887625
Total Pages : 0 pages
Book Rating : 4.8/5 (876 download)

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Book Synopsis Phytochemistry, 3-Volume Set by : Chukwuebuka Egbuna

Download or read book Phytochemistry, 3-Volume Set written by Chukwuebuka Egbuna and published by . This book was released on 2018-12-21 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 3-volume set covers provides a wealth of information on phytochemistry, including the fundamentals, new applications, methods and modern analytical techniques, state-of-the-art approaches, and computational techniques. With chapters from specialists from around the world, the volumes deliver a comprehensive coverage of phytochemistry.

Computational Chemistry Methods

Author : Ponnadurai Ramasami
Publisher : de Gruyter
ISBN 13 : 9783110629064
Total Pages : 0 pages
Book Rating : 4.6/5 (29 download)

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Book Synopsis Computational Chemistry Methods by : Ponnadurai Ramasami

Download or read book Computational Chemistry Methods written by Ponnadurai Ramasami and published by de Gruyter. This book was released on 2020 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Computational Chemistry Methodology in Structural Biology and Materials Sciences

Author : Tanmoy Chakraborty
Publisher : CRC Press
ISBN 13 : 1771885696
Total Pages : 370 pages
Book Rating : 4.7/5 (718 download)

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Book Synopsis Computational Chemistry Methodology in Structural Biology and Materials Sciences by : Tanmoy Chakraborty

Download or read book Computational Chemistry Methodology in Structural Biology and Materials Sciences written by Tanmoy Chakraborty and published by CRC Press. This book was released on 2017-10-03 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.

Phytochemicals as Lead Compounds for New Drug Discovery

Author : Chukwuebuka Egbuna
Publisher : Elsevier
ISBN 13 : 0128178914
Total Pages : 382 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Phytochemicals as Lead Compounds for New Drug Discovery by : Chukwuebuka Egbuna

Download or read book Phytochemicals as Lead Compounds for New Drug Discovery written by Chukwuebuka Egbuna and published by Elsevier. This book was released on 2019-09-07 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phytochemicals as Lead Compounds for New Drug Discovery presents complete coverage of the recent advances in the discovery of phytochemicals from medicinal plants as models to the development of new drugs and chemical entities. Functional bioactive compounds of plant origin have been an invaluable source for many human therapeutic drugs and have played a major role in the treatment of diseases around the world. These compounds possess enormous structural and chemical diversity and have led to many important discoveries. This book presents fundament concepts and factors affecting the choice for plant-based products, as well as recent advances in computer-aided drug discovery and FDA drug candidacy acceptance criteria. It also details the various bioactive lead compounds and molecular targets for a range of life-threatening diseases including cancer, diabetes, and neurodegenerative diseases. Written by a global team of experts, Phytochemicals as Lead Compounds for New Drug Discovery is an ideal resource for drug developers, phytochemists, plant biochemists, food and medicinal chemists, nutritionists and toxicologists, chemical ecologists, taxonomists, analytical chemists, and other researchers in those fields. It will also be very valuable to professors, students, and researchers in this domain. Presents fundamental concepts and factors affecting choice for plant-based products Details the FDA drug candidacy acceptance criteria, including bottlenecks and way forward Highlights recent advances in computational-based drug discovery Focuses on the discovery of new drugs and potential druggable targets for the treatment of chronic diseases of world importance

An Introduction to Chemoinformatics

Author : Andrew R. Leach
Publisher : Springer
ISBN 13 : 1402062915
Total Pages : 260 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis An Introduction to Chemoinformatics by : Andrew R. Leach

Download or read book An Introduction to Chemoinformatics written by Andrew R. Leach and published by Springer. This book was released on 2007-09-04 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

Computational Organic Chemistry

Author : Steven M. Bachrach
Publisher : John Wiley & Sons
ISBN 13 : 1118671228
Total Pages : 1070 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Computational Organic Chemistry by : Steven M. Bachrach

Download or read book Computational Organic Chemistry written by Steven M. Bachrach and published by John Wiley & Sons. This book was released on 2014-03-03 with total page 1070 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.

Computational Chemogenomics

Author : Edgar Jacoby
Publisher : CRC Press
ISBN 13 : 9814411396
Total Pages : 266 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Computational Chemogenomics by : Edgar Jacoby

Download or read book Computational Chemogenomics written by Edgar Jacoby and published by CRC Press. This book was released on 2013-12-03 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target hopping of chemotypes to identify synergies within related drug discovery projects or to repurpose known drugs, to propose mechanism of action of compounds, or to identify off-target effects by cross-reactivity analysis. Both ligand-based and structure-based in silico approaches, as reviewed in this book, play important roles for all these applications. Computational chemogenomics is expected to increase the quality and productivity of drug discovery and lead to the discovery of new medicines.