Computational Phytochemistry

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Computational Phytochemistry

Satyajit Dey Sarker,Lutfun Nahar
Computational Phytochemistry Book PDF

Author : Satyajit Dey Sarker,Lutfun Nahar
Publisher : Elsevier
Page : 532 pages
File Size : 54,8 Mb
Release : 2024-03-15
Category : Science
ISBN : 9780443161032

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Computational Phytochemistry by Satyajit Dey Sarker,Lutfun Nahar Pdf

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

Chukwuebuka Egbuna,Mithun Rudrapal,Habibu Tijjani
Phytochemistry Computational Tools and Databases in Drug Discovery Book PDF

Author : Chukwuebuka Egbuna,Mithun Rudrapal,Habibu Tijjani
Publisher : Elsevier
Page : 494 pages
File Size : 51,8 Mb
Release : 2022-11-30
Category : Science
ISBN : 9780323907163

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Phytochemistry, Computational Tools, and Databases in Drug Discovery by Chukwuebuka Egbuna,Mithun Rudrapal,Habibu Tijjani Pdf

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

Chukwuebuka Egbuna,Habibu Tijjani,Mithun Rudrapal
Phytochemistry Computational Tools and Databases in Drug Discovery Book PDF

Author : Chukwuebuka Egbuna,Habibu Tijjani,Mithun Rudrapal
Publisher : Elsevier
Page : 492 pages
File Size : 53,9 Mb
Release : 2022-08-15
Category : Medical
ISBN : 9780323905930

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Phytochemistry, Computational Tools and Databases in Drug Discovery by Chukwuebuka Egbuna,Habibu Tijjani,Mithun Rudrapal Pdf

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

Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Chidi Udedi,Shashank Kumar
Phytochemistry Book PDF

Author : Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Chidi Udedi,Shashank Kumar
Publisher : CRC Press
Page : 665 pages
File Size : 54,9 Mb
Release : 2018-12-12
Category : Health & Fitness
ISBN : 9780429760327

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Phytochemistry by Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Chidi Udedi,Shashank Kumar Pdf

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

Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Chidi Udedi,Shashank Kumar
Phytochemistry Book PDF

Author : Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Chidi Udedi,Shashank Kumar
Publisher : CRC Press
Page : 658 pages
File Size : 53,5 Mb
Release : 2018-12-12
Category : Health & Fitness
ISBN : 9780429760334

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Phytochemistry by Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Chidi Udedi,Shashank Kumar Pdf

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

Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Udedi Chidi,Shashank Kumar,Jaya Vikas Kurhekar,Nadia Sharif
Phytochemistry 3 Volume Set Book PDF

Author : Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Udedi Chidi,Shashank Kumar,Jaya Vikas Kurhekar,Nadia Sharif
Publisher : CRC Press
Page : 1806 pages
File Size : 49,8 Mb
Release : 2022-05-30
Category : Health & Fitness
ISBN : 9780429760488

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Phytochemistry, 3-Volume Set by Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Udedi Chidi,Shashank Kumar,Jaya Vikas Kurhekar,Nadia Sharif Pdf

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

Mohd Adnan,Mitesh Patel,Mejdi Snoussi
Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants Book PDF

Author : Mohd Adnan,Mitesh Patel,Mejdi Snoussi
Publisher : CRC Press
Page : 668 pages
File Size : 51,5 Mb
Release : 2023-08-31
Category : Science
ISBN : 9781000923148

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Ethnobotany and Ethnopharmacology of Medicinal and Aromatic Plants by Mohd Adnan,Mitesh Patel,Mejdi Snoussi Pdf

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.

High-Resolution Mass Spectroscopy for Phytochemical Analysis

Sreeraj Gopi,Augustine Amalraj,Shintu Jude
High Resolution Mass Spectroscopy for Phytochemical Analysis Book PDF

Author : Sreeraj Gopi,Augustine Amalraj,Shintu Jude
Publisher : CRC Press
Page : 240 pages
File Size : 54,6 Mb
Release : 2021-09-30
Category : Science
ISBN : 9781000353617

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High-Resolution Mass Spectroscopy for Phytochemical Analysis by Sreeraj Gopi,Augustine Amalraj,Shintu Jude Pdf

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

Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Udedi Chidi,Shashank Kumar,Jaya Vikas Kurhekar,Nadia Sharif
Phytochemistry 3 Volume Set Book PDF

Author : Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Udedi Chidi,Shashank Kumar,Jaya Vikas Kurhekar,Nadia Sharif
Publisher : Unknown
Page : 0 pages
File Size : 43,7 Mb
Release : 2018-12-21
Category : Botanical chemistry
ISBN : 1771887621

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Phytochemistry, 3-Volume Set by Chukwuebuka Egbuna,Jonathan Chinenye Ifemeje,Stanley Udedi Chidi,Shashank Kumar,Jaya Vikas Kurhekar,Nadia Sharif Pdf

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.

Electronic Systems and Intelligent Computing

Pradeep Kumar Mallick,Preetisudha Meher,Alak Majumder,Santos Kumar Das
Electronic Systems and Intelligent Computing Book PDF

Author : Pradeep Kumar Mallick,Preetisudha Meher,Alak Majumder,Santos Kumar Das
Publisher : Springer Nature
Page : 1126 pages
File Size : 43,7 Mb
Release : 2020-09-22
Category : Technology & Engineering
ISBN : 9789811570315

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Electronic Systems and Intelligent Computing by Pradeep Kumar Mallick,Preetisudha Meher,Alak Majumder,Santos Kumar Das Pdf

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

Carrillo-Cedillo, Eugenia Gabriela,Rodríguez-Avila, José Antonio,Arredondo-Soto, Karina Cecilia,Cornejo-Bravo, José Manuel
Design of Experiments for Chemical Pharmaceutical Food and Industrial Applications Book PDF

Author : Carrillo-Cedillo, Eugenia Gabriela,Rodríguez-Avila, José Antonio,Arredondo-Soto, Karina Cecilia,Cornejo-Bravo, José Manuel
Publisher : IGI Global
Page : 429 pages
File Size : 47,5 Mb
Release : 2019-12-13
Category : Science
ISBN : 9781799815204

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Design of Experiments for Chemical, Pharmaceutical, Food, and Industrial Applications by Carrillo-Cedillo, Eugenia Gabriela,Rodríguez-Avila, José Antonio,Arredondo-Soto, Karina Cecilia,Cornejo-Bravo, José Manuel Pdf

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.

Phytochemical Genomics

Mallappa Kumara Swamy,Ajay Kumar
Phytochemical Genomics Book PDF

Author : Mallappa Kumara Swamy,Ajay Kumar
Publisher : Springer Nature
Page : 691 pages
File Size : 52,8 Mb
Release : 2023-01-01
Category : Science
ISBN : 9789811957796

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Phytochemical Genomics by Mallappa Kumara Swamy,Ajay Kumar Pdf

This book provides a comprehensive reference for various plant bioactive compounds for research and pharmacological significance across the entire spectrum of phytochemical genomics. The book opens with general information on diversity, analysis and genomic basis of phytochemicals, computational approaches, databases for responsible genes, and biosynthetic pathways, and it delves very much into the details behind phytochemical diversity and diverse roles of plant metabolites. The later parts of the book also explore the direct drug discovery and omics approaches including metabolomics, transcriptomics, as well as gene editing technology experiments to further inspire readers into its unlimited potentials. Each chapter includes detailed analysis and relevant experiments for better and deeper understanding of the concepts. The book will be an invaluable aid for medicinal plant researchers and a rich source of information and advice for advanced undergraduates and graduates in the fields of medicine, nutraceuticals, cosmetics, flavor, and fragrance studies.

Phytochemicals as Lead Compounds for New Drug Discovery

Chukwuebuka Egbuna,Shashank Kumar,Jonathan C. Ifemeje,Shahira M. Ezzat,Saravanan Kaliyaperumal
Phytochemicals as Lead Compounds for New Drug Discovery Book PDF

Author : Chukwuebuka Egbuna,Shashank Kumar,Jonathan C. Ifemeje,Shahira M. Ezzat,Saravanan Kaliyaperumal
Publisher : Elsevier
Page : 382 pages
File Size : 53,6 Mb
Release : 2019-09-07
Category : Science
ISBN : 9780128178911

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Phytochemicals as Lead Compounds for New Drug Discovery by Chukwuebuka Egbuna,Shashank Kumar,Jonathan C. Ifemeje,Shahira M. Ezzat,Saravanan Kaliyaperumal Pdf

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

Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches

Mithun Rudrapal,Chukwuebuka Egbuna
Computer Aided Drug Design CADD From Ligand Based Methods to Structure Based Approaches Book PDF

Author : Mithun Rudrapal,Chukwuebuka Egbuna
Publisher : Elsevier
Page : 324 pages
File Size : 42,5 Mb
Release : 2022-05-26
Category : Science
ISBN : 9780323914338

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Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches by Mithun Rudrapal,Chukwuebuka Egbuna Pdf

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed. Highlights in silico approaches to drug design and discovery using computational tools and techniques Details ligand-based and structure-based drug design in a comprehensive and systematic approach Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing

Computational Medicinal Chemistry for Drug Discovery

Patrick Bultinck,Hans De Winter,Wilfried Langenaeker,Jan P. Tollenare
Computational Medicinal Chemistry for Drug Discovery Book PDF

Author : Patrick Bultinck,Hans De Winter,Wilfried Langenaeker,Jan P. Tollenare
Publisher : CRC Press
Page : 844 pages
File Size : 46,7 Mb
Release : 2003-12-17
Category : Medical
ISBN : 0203913396

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Computational Medicinal Chemistry for Drug Discovery by Patrick Bultinck,Hans De Winter,Wilfried Langenaeker,Jan P. Tollenare Pdf

Observing computational chemistry's proven value to the introduction of new medicines, Computational Medicinal Chemistry for Drug Discovery offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than 50 preeminent scientists, this book surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling. It also examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.