Computational Phytochemistry
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| Author | : Satyajit Dey Sarker |
| Publisher | : Elsevier |
| Total Pages | : 532 |
| Release | : 2024-03-06 |
| Genre | : Science |
| ISBN | : 0443161038 |
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
| Author | : Chukwuebuka Egbuna |
| Publisher | : Elsevier |
| Total Pages | : 494 |
| Release | : 2022-11-30 |
| Genre | : Science |
| ISBN | : 0323907164 |
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
| Author | : Chukwuebuka Egbuna |
| Publisher | : CRC Press |
| Total Pages | : 615 |
| Release | : 2018-12-12 |
| Genre | : Health & Fitness |
| ISBN | : 0429760329 |
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.
| Author | : Chukwuebuka Egbuna |
| Publisher | : CRC Press |
| Total Pages | : 1806 |
| Release | : 2022-05-30 |
| Genre | : Health & Fitness |
| ISBN | : 0429760485 |
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.
| Author | : Mohd Adnan |
| Publisher | : CRC Press |
| Total Pages | : 668 |
| Release | : 2023-08-31 |
| Genre | : Science |
| ISBN | : 1000923142 |
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.
| Author | : Pradeep Kumar Mallick |
| Publisher | : Springer Nature |
| Total Pages | : 1126 |
| Release | : 2020-09-22 |
| Genre | : Technology & Engineering |
| ISBN | : 9811570310 |
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.
| Author | : Carrillo-Cedillo, Eugenia Gabriela |
| Publisher | : IGI Global |
| Total Pages | : 429 |
| Release | : 2019-12-13 |
| Genre | : Science |
| ISBN | : 179981520X |
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.
| Author | : Sreeraj Gopi |
| Publisher | : CRC Press |
| Total Pages | : 240 |
| Release | : 2021-09-30 |
| Genre | : Science |
| ISBN | : 1000353613 |
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.
| Author | : Chukwuebuka Egbuna |
| Publisher | : Elsevier |
| Total Pages | : 382 |
| Release | : 2019-09-07 |
| Genre | : Science |
| ISBN | : 0128178914 |
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
| Author | : Jen-Tsung Chen |
| Publisher | : CRC Press |
| Total Pages | : 681 |
| Release | : 2023-09-26 |
| Genre | : Medical |
| ISBN | : 1000909093 |
Coronaviruses can cause illness, severe disease, and death; for example, Middle East respiratory syndrome (MERS), severe acute respiratory syndrome (SARS), and COVID-19. Vaccine development and antiviral drugs are challenged by the propensity for viral mutations allowing these viruses to evade such therapies. There are a number of bioactive compounds from natural sources, which can exert health benefits and act as antiviral therapies such as anti-inflammation, antioxidative stress, and immune regulation. This book summarizes research on the potential efficacy and underlying mechanisms of bioactive compounds and traditional medicines against SARS-CoV-2. Key Features Summarizes the potential benefits of bioactive therapies for coronaviruses Focuses on COVID-19, but also covers MERS and SARS Provides alternatives to vaccines and other antiviral drugs whose efficacy is reduced by viral mutations Relevant for clinicians and public health officials
