Methods In The Design Of Bioactive Compounds

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QSAR, Rational Approaches to the Design of Bioactive Compounds

Author : C. Silipo
Publisher : Elsevier Publishing Company
ISBN 13 :
Total Pages : 604 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis QSAR, Rational Approaches to the Design of Bioactive Compounds by : C. Silipo

Download or read book QSAR, Rational Approaches to the Design of Bioactive Compounds written by C. Silipo and published by Elsevier Publishing Company. This book was released on 1991 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative structure-activity relationships constitute a subject which has seen enormous growth in the past decade. Techniques which have been developed and used widely outside of medicinal chemistry are now used by those working with QSAR. These techniques employ powerful computers, molecular graphics systems and sophisticated software. Although QSAR techniques have been developed to optimize activities of known sets of analogs, recent methodologies suggest that these techniques can be useful in the modeling of new chemical entities. The contributions in this state-of-the-art volume cover a wide range of disciplines, tools and ideas which will be of interest to medicinal chemists, pharmacologists and biologists. The book gives an update of progress in the science of the quantitative approaches of the interface between chemistry, physical chemistry and biology-pharmacology. The use of molecular graphics, computational and conformational methods in drug research is extensively covered.

Water Extraction of Bioactive Compounds

Author : Herminia Dominguez
Publisher : Elsevier
ISBN 13 : 0128096152
Total Pages : 486 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Water Extraction of Bioactive Compounds by : Herminia Dominguez

Download or read book Water Extraction of Bioactive Compounds written by Herminia Dominguez and published by Elsevier. This book was released on 2017-09-20 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: Water Extraction of Bioactive Compounds: From Plants to Drug Development draws together the expert knowledge of researchers from around the world to outline the essential knowledge and techniques required to successfully extract bioactive compounds for further study. The book is a practical tool for medicinal chemists, biochemists, pharmaceutical scientists and academics working in the discovery and development of drugs from natural sources. The discovery and extraction of bioactive plant compounds from natural sources is of growing interest to drug developers, adding greater fuel to a simultaneous search for efficient, green technologies to support this. Particularly promising are aqueous based methods, as water is a cheap, safe and abundant solvent. Water Extraction of Bioactive Compounds: From Plants to Drug Development is a detailed guide to the fundamental concepts and considerations needed to successfully undertake such processes, supported by application examples and highlighting the most influential variables. Beginning with an introduction to plants as sources of drugs, the book highlights the need for a move towards both more rational and greener techniques in the field, and presents multiple innovative water-based strategies for the discovery and extraction of bioactive constituents of botanicals. A broad range of available techniques are reviewed, including conventional and pressurized hot water extraction techniques, intensified processes such as microwave-assisted, ultrasound-assisted processes, and enzyme assisted extraction, and processes using combined techniques. - Covers the theoretical background and range of techniques available to researchers, helping them to select the most appropriate extraction method for their needs - Presents up-to-date and cutting edge applications by international experts - Highlights current use and future potential for industrial scale applications - Offers a thorough introduction to plants as sources of drugs, highlighting strategies for the discovery of novel bioactive constituents of botanicals

Encapsulation of Active Molecules and Their Delivery System

Author : Shirish Sonawane
Publisher : Elsevier
ISBN 13 : 0128193646
Total Pages : 379 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Encapsulation of Active Molecules and Their Delivery System by : Shirish Sonawane

Download or read book Encapsulation of Active Molecules and Their Delivery System written by Shirish Sonawane and published by Elsevier. This book was released on 2020-03-24 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encapsulation of Active Molecules and Their Delivery System covers the key methods of preparation of encapsulation, as well as release mechanisms and their applications in food, biotechnology, metal protection, drug delivery, and micronutrients delivery in agriculture. The book also provides real-life examples of applications in food and other industries. Sections encompasses (i) Synthesis and characterization methods of micro- and nanocarriers as the delivery systems, (ii) Up-to-date encapsulation techniques in the areas of pharmaceuticals, nutraceuticals and corrosion, (iii) The release methods of the encapsulated materials, and (iv) Industry perspectives, including scale up of the processes. - Focuses on encapsulation processes in chemical and materials engineering and biotechnology - Provides a relevant resource for the pharmaceutical and food industries - Presents wide coverage on the entrapment of molecules that scales-up to industrial sized needs

QSAR and Strategies in the Design of Bioactive Compounds

Author : Joachim Karl Seydel
Publisher : Wiley-VCH Verlag GmbH
ISBN 13 :
Total Pages : 468 pages
Book Rating : 4.:/5 (318 download)

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Book Synopsis QSAR and Strategies in the Design of Bioactive Compounds by : Joachim Karl Seydel

Download or read book QSAR and Strategies in the Design of Bioactive Compounds written by Joachim Karl Seydel and published by Wiley-VCH Verlag GmbH. This book was released on 1985 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Microwave-assisted Extraction for Bioactive Compounds

Author : Farid Chemat
Publisher : Springer Science & Business Media
ISBN 13 : 1461448301
Total Pages : 248 pages
Book Rating : 4.4/5 (614 download)

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Book Synopsis Microwave-assisted Extraction for Bioactive Compounds by : Farid Chemat

Download or read book Microwave-assisted Extraction for Bioactive Compounds written by Farid Chemat and published by Springer Science & Business Media. This book was released on 2012-12-12 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: With increasing energy prices and the drive to reduce CO2 emissions, food industries are challenged to find new technologies in order to reduce energy consumption, to meet legal requirements on emissions, product/process safety and control, and for cost reduction and increased quality as well as functionality. Extraction is one of the promising innovation themes that could contribute to sustainable growth in the chemical and food industries. For example, existing extraction technologies have considerable technological and scientific bottlenecks to overcome, such as often requiring up to 50% of investments in a new plant and more than 70% of total process energy used in food, fine chemicals and pharmaceutical industries. These shortcomings have led to the consideration of the use of new "green" techniques in extraction, which typically use less solvent and energy, such as microwave extraction. Extraction under extreme or non-classical conditions is currently a dynamically developing area in applied research and industry. Using microwaves, extraction and distillation can now be completed in minutes instead of hours with high reproducibility, reducing the consumption of solvent, simplifying manipulation and work-up, giving higher purity of the final product, eliminating post-treatment of waste water and consuming only a fraction of the energy normally needed for a conventional extraction method. Several classes of compounds such as essential oils, aromas, anti-oxidants, pigments, colours, fats and oils, carbohydrates, and other bioactive compounds have been extracted efficiently from a variety of matrices (mainly animal tissues, food, and plant materials). The advantages of using microwave energy, which is a non-contact heat source, includes more effective heating, faster energy transfer, reduced thermal gradients, selective heating, reduced equipment size, faster response to process heating control, faster start-up, increased production, and elimination of process steps. This book will present a complete picture of the current knowledge on microwave-assisted extraction (MAE) of bioactive compounds from food and natural products. It will provide the necessary theoretical background and details about extraction by microwaves, including information on the technique, the mechanism, protocols, industrial applications, safety precautions, and environmental impacts.

Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals

Author : Wilfried Draber
Publisher : CRC Press
ISBN 13 : 9780849358593
Total Pages : 604 pages
Book Rating : 4.3/5 (585 download)

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Book Synopsis Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals by : Wilfried Draber

Download or read book Rational Approaches to Structure, Activity, and Ecotoxicology of Agrochemicals written by Wilfried Draber and published by CRC Press. This book was released on 1992-07-14 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents discussions of the most important aspects in the development of agrochemicals. The book covers such broad areas as structure activity and ecotoxicological analyses in comprehensive reviews for general methods and chronicles for individual examples. Topics in structure-activity relationships include how to combine submolecular structures of pharmacological interests and modify them according to chemorational models with computer-aided procedures such as the traditional Hansch-type QSAR, the sequential, simplex optimization, and molecular modeling. Topics in the ecotoxicology of organo phosphorus compounds are discussed in terms of the quantitative structure-toxicity relationship (QSTR). Chronicles of molecular orbital methodology in predicting environmental fates of agrochemicals are also provided. This volume will be invaluable for researchers in the agrochemical and pharmaceutical industries.

Design of Hybrid Molecules for Drug Development

Author : Michael Decker
Publisher : Elsevier
ISBN 13 : 0081011180
Total Pages : 354 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Design of Hybrid Molecules for Drug Development by : Michael Decker

Download or read book Design of Hybrid Molecules for Drug Development written by Michael Decker and published by Elsevier. This book was released on 2017-04-05 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of Hybrid Molecules for Drug Development reviews the principles, advantages, and limitations involved with designing these groundbreaking compounds. Beginning with an introduction to hybrid molecule design and background as to their need, the book goes on to explore a range of important hybrids, with hybrids containing natural products, molecules containing NO- and H2S-donors, dual-acting compounds acting as receptor ligands and enzyme inhibitors, and the design of photoresponsive drugs all discussed. Drawing on practical case studies, the hybridization of molecules for development as treatments for a number of key diseases is then outlined, including the design of hybrids for Alzheimer's, cancer, and malaria. With its cutting-edge reviews of breaking developments in this exciting field, the book offers a novel approach for all those working in the design, development, and administration of drugs for a range of debilitating disorders. - Highlights an approach unimpaired by the limitations of the classical search for lead structures - one of the core problems in modern drug development processes, making the content of high relevance for both academic and non-academic drug development processes - Pulls together research and design techniques in a novel way to give researchers the best possible platform from which to review the approaches and techniques applied - Compares the advantages and disadvantages of these compounds - Includes the very latest developments, such as photoactivatable and photo-responsive drugs

Cheminformatics and its Applications

Author : Amalia Stefaniu
Publisher : BoD – Books on Demand
ISBN 13 : 1838800670
Total Pages : 192 pages
Book Rating : 4.8/5 (388 download)

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Book Synopsis Cheminformatics and its Applications by : Amalia Stefaniu

Download or read book Cheminformatics and its Applications written by Amalia Stefaniu and published by BoD – Books on Demand. This book was released on 2020-07-15 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.

Applied Computer-Aided Drug Design: Models and Methods

Author : Igor José dos Santos Nascimento
Publisher : Bentham Science Publishers
ISBN 13 : 9815179942
Total Pages : 366 pages
Book Rating : 4.8/5 (151 download)

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Book Synopsis Applied Computer-Aided Drug Design: Models and Methods by : Igor José dos Santos Nascimento

Download or read book Applied Computer-Aided Drug Design: Models and Methods written by Igor José dos Santos Nascimento and published by Bentham Science Publishers. This book was released on 2023-12-08 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume. Key Features · Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format. · Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs. · Explains theoretical fundamentals and applications of computer-aided drug design. · Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP). · Includes scientific reference for advanced readers Readership Students, teachers and early career researchers.

Herbs, Spices and Medicinal Plants

Author : Mohammad B. Hossain
Publisher : John Wiley & Sons
ISBN 13 : 1119036615
Total Pages : 400 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Herbs, Spices and Medicinal Plants by : Mohammad B. Hossain

Download or read book Herbs, Spices and Medicinal Plants written by Mohammad B. Hossain and published by John Wiley & Sons. This book was released on 2020-10-05 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest research on the health benefits and optimal processing technologies of herbs and spices This book provides a comprehensive overview of the health benefits, analytical techniques used, and effects of processing upon the physicochemical properties of herbs and spices. Presented in three parts, it opens with a section on the technological and health benefits of herbs and spices. The second part reviews the effect of classical and novel processing techniques on the properties of herbs/spices. The third section examines extraction techniques and analytical methodologies used for herbs and spices. Filled with contributions from experts in academia and industry, Herbs, Spices and Medicinal Plants: Processing, Health Benefits and Safety offers chapters covering thermal and non-thermal processing of herbs and spices, recent developments in high-quality drying of herbs and spices, conventional and novel techniques for extracting bioactive compounds from herbs and spices, and approaches to analytical techniques. It also examines purification and isolation techniques for enriching bioactive phytochemicals, medicinal properties of herbs and spices, synergy in whole-plant medicine, potential applications of polyphenols from herbs and spices in dairy products, biotic and abiotic safety concerns, and adverse human health effects and regulation of metal contaminants in terrestrial plant-derived food and phytopharmaceuticals. Covers the emerging health benefits of herbs and spices, including their use as anti-diabetics, anti-inflammatories, and anti-oxidants Reviews the effect of classical and novel processing techniques on the properties of herbs and spices Features informed perspectives from noted academics and professionals in the industry Part of Wiley's new IFST Advances in Food Science series Herbs, Spices and Medicinal Plants is an important book for companies, research institutions, and universities active in the areas of food processing and the agri-food environment. It will appeal to food scientists and engineers, environmentalists, and food regulatory agencies.

Semisynthesis of Bioactive Compounds and their Biological Activities

Author : Sasadhar Majhi
Publisher : Elsevier
ISBN 13 : 0443152705
Total Pages : 484 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis Semisynthesis of Bioactive Compounds and their Biological Activities by : Sasadhar Majhi

Download or read book Semisynthesis of Bioactive Compounds and their Biological Activities written by Sasadhar Majhi and published by Elsevier. This book was released on 2023-11-25 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semisynthesis of Bioactive Compounds and their Biological Activities explores the potential benefits of semisynthetic derivatives obtained from nature. Sections cover the natural distribution of parent compounds, semisynthesis and biological properties of semisynthetic derivatives, the applications of semisynthetic derivatives in diverse fields such as drug delivery, food production and medicine, an explanation of the current resistance mechanisms of antibiotics, clinical applications of semisynthetic analogues, the functions of plant alkaloids on human health, potential agricultural biotechnology in semisynthetic derivatives, and semisynthesis of natural products under greener conditions, this book provides a comprehensive resource on the topics presented. Sections include information about alternative sources of energy and superior greener technologies (microwave, sonochemistry), alternative reaction media (water, supercritical CO2, ionic liquids) and alternative eco-friendly catalysts (biocatalysts). This book will be an excellent resource for academicians, researchers and students focusing on synthesis as well as the biological community and industry professionals in drug development. - Focuses on the current resistance mechanisms of antibiotics, chemical derivatization of antibiotics, and clinical applications of semisynthetic derivatives. - Includes discussion of the semisynthesis of natural products using green tools, green solvents, and eco-friendly catalysts. - Illustrates the concept of toxicity, the merits of transition-metal-free reactions, and the semisynthesis of natural products by introducing the oxygen atom(s) under transition-metal-free conditions.

Environmental Health Perspectives

Author :
Publisher :
ISBN 13 :
Total Pages : 376 pages
Book Rating : 4.3/5 ( download)

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Book Synopsis Environmental Health Perspectives by :

Download or read book Environmental Health Perspectives written by and published by . This book was released on 1985 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt:

In Silico Methods for Drug Design and Discovery

Author : Simone Brogi
Publisher : Frontiers Media SA
ISBN 13 : 2889660575
Total Pages : 504 pages
Book Rating : 4.8/5 (896 download)

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Book Synopsis In Silico Methods for Drug Design and Discovery by : Simone Brogi

Download or read book In Silico Methods for Drug Design and Discovery written by Simone Brogi and published by Frontiers Media SA. This book was released on 2020-10-09 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.

3D QSAR in Drug Design

Author : Hugo Kubinyi
Publisher : Springer Science & Business Media
ISBN 13 : 9789072199140
Total Pages : 796 pages
Book Rating : 4.1/5 (991 download)

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Book Synopsis 3D QSAR in Drug Design by : Hugo Kubinyi

Download or read book 3D QSAR in Drug Design written by Hugo Kubinyi and published by Springer Science & Business Media. This book was released on 1993-12-31 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules. The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the present state of the art should enable scientists to further develop and improve these powerful new tools. The greater part of the book is dedicated to the theoretical background of 3D QSAR and to a discussion of CoMFA applications. In addition, various other 3D QSAR approaches and some CoMFA-related methods are described in detail. Thus, the book should be valuable for medicinal, agricultural and theoretical chemists, biochemists and biologists, as well as for other scientists interested in drug design. Its content, starting at a very elementary level and proceeding to the latest methodological results, the strengths and limitations of 3D QSAR approaches, makes the book also appropriate as a text for teaching and for graduate student courses.

Designing Bioactive Molecules

Author : Yvonne Connolly Martin
Publisher :
ISBN 13 :
Total Pages : 308 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Designing Bioactive Molecules by : Yvonne Connolly Martin

Download or read book Designing Bioactive Molecules written by Yvonne Connolly Martin and published by . This book was released on 1998 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: Three-dimensional structural information often provides the key to dis covering or designing bioactive molecules and compounds. This volume c overs the principal computational techniques for processing three-dime nsional structures of small molecules and compounds. It describes data base construction and searching, analysis of structure-activity relati onships by pharmacophore mapping and QSAR, prediction of biological po tency of small molecules and compounds by QSAR and by docking to macro molecular targets. The book also includes a chapter on de novo design of ligands to fit a macromolecular target.

Fungal Metabolites

Author : Jean-Michel Mérillon
Publisher :
ISBN 13 : 9783319194561
Total Pages : pages
Book Rating : 4.1/5 (945 download)

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Book Synopsis Fungal Metabolites by : Jean-Michel Mérillon

Download or read book Fungal Metabolites written by Jean-Michel Mérillon and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Structure-Based Drug Design

Author : Pandi Veerapandian
Publisher : Routledge
ISBN 13 : 1351413066
Total Pages : 665 pages
Book Rating : 4.3/5 (514 download)

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Book Synopsis Structure-Based Drug Design by : Pandi Veerapandian

Download or read book Structure-Based Drug Design written by Pandi Veerapandian and published by Routledge. This book was released on 2018-03-29 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the most recent advances in crystallography, nuclear magnetic resonance, molecular modeling techniques, and computational combinatorial chemistry, this unique, interdisciplinary reference explains the application of three-dimensional structural information in the design of pharmaceutical drugs. Furnishing authoritative analyses by world-renowned experts, Structure-Based Drug Design discusses protein structure-based design in optimizing HIV protease inhibitors and details the biochemical, genetic, and clinical data on HIV-1 reverse transcriptase presents recent results on the high-resolution three-dimensional structure of the catalytic core domain of HIV-1 integrase as a foundation for divergent combination therapy focuses on structure-based design strategies for uncovering receptor antagonists to treat inflammatory diseases demonstrates a systematic approach to the design of inhibitory compounds in cancer treatment reviews current knowledge on the Interleukin-1 (IL-1) system and progress in the development of IL-1 modulators describes the influence of structure-based methods in designing capsid-binding inhibitors for relief of the common cold and much more!