Download or read book Hydrogen bonding abilities of hydroxamic acid and its isosteres written by Ruchi Kohli and published by Anchor Academic Publishing. This book was released on 2016-01-26 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This study comprises seven chapters. In chapter 1 an overview of chemistry, biological functions and literature studies of hydroxamic acids (HA) and its isosteres is presented. The principles of quantum mechanics underlying the computational methods employed to study HAs are given in brief. Chapter 2 describes intra- and intermolecular H-bonding interactions between formohydoxamic acid (FHA) and single water molecule and the dimerization among the isomeric forms. Chapter 3 involves the comparative study of H-bonding abilities of thioformohydoxamic acid (TFHA) and FHA. The deprotonation enthalpies of different sites of FHA and TFHA, probable pathways for interconversion among anions and their H-bonding with water are explored in chapter 4. The Effect of aqueous medium on deprotonation by using solvation methods is also discussed. Further insight into H-bonded aggregates and dimers of HAs is gained through the analysis of calculated stabilization energies and their comparison to similar H-bonded functionalities. The reasons behind the H-bond cooperativity in the aggregates and dimers are explored in chapter 5. Chapter 6 deals with the study of properties of formylphosphinous acid (FPA) isostere of FHA and a comparative study is carried out. In chapter 7, the aggregation of the most stable keto and enol conformer of FHA and TFHA with five amino acid side chain groups occurring at active sites of enzymes is studied.
Download or read book Chemical Speciation of Organic and Inorganic components of Environmental and Biological Interest in Natural Fluids written by Francesco Crea and published by MDPI. This book was released on 2020-03-25 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: The International Union of Pure and Applied Chemistry (IUPAC) defines the term “speciation” as the distribution of an element amongst defined chemical species in a system, while the process leading to quantitative estimation of the content of different species is called speciation analysis. The chemical speciation of elements in natural waters and biological fluids is a key topic, essential for discussing the chemical reactivity of constituents in these systems. It is well understood that it is the chemical form of a metal or metalloids that determines its reactivity, lifetime, and fate in the environment. Chemical speciation now involves various sectors of the sciences, from chemistry to biology, biochemistry, and environmental sciences, since—as is well known—the total concentration, alone, of an inorganic or organic component (metal or ligand) in a multicomponent natural system (fresh water, sea water, biological fluids, soil, etc.) is insufficient for a comprehensive understand of its behavior in those contests.
Download or read book Handbook of Assay Development in Drug Discovery written by Lisa K. Minor and published by CRC Press. This book was released on 2006-01-20 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Handbook of Assay Development in Drug Discovery describes all the tools currently available for performing various assay techniques. Featuring troubleshooting advice for common problems from experienced assay developers, the vendor community, and scientists in the pharmaceutical industry, the book presents descriptions of methods, laboratory guidelines and protocols used to perform such methods, specific examples of each assay system, and troubleshooting tools. Designed as a guide to running an assay from start to finish, this is an ideal bench top companion for scientists involved in drug discovery screening, lead profiling, therapeutic target evaluation, and assay development and implementation.
Download or read book Epigenetic Drug Discovery written by Wolfgang Sippl and published by John Wiley & Sons. This book was released on 2018-11-26 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: This broad view of epigenetic approaches in drug discovery combines methods and strategies with individual targets, including new and largely unexplored ones such as sirtuins and methyl-lysine reader proteins. Presented in three parts - Introduction to Epigenetics, General Aspects and Methodologies, and Epigenetic Target Classes - it covers everything any drug researcher would need in order to know about targeting epigenetic mechanisms of disease. Epigenetic Drug Discovery is an important resource for medicinal chemists, pharmaceutical researchers, biochemists, molecular biologists, and molecular geneticists.
Download or read book Epigenetic Technological Applications written by Yujun George Zheng and published by Academic Press. This book was released on 2015-05-30 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epigenetic Technological Applications is a compilation of state-of-the-art technologies involved in epigenetic research. Epigenetics is an exciting new field of biology research, and many technologies are invented and developed specifically for epigenetics study. With chapters covering the latest developments in crystallography, computational modeling, the uses of histones, and more, Epigenetic Technological Applications addresses the question of how these new ideas, procedures, and innovations can be applied to current epigenetics research, and how they can keep pushing discovery forward and beyond the epigenetic realm. Discusses technologies that are critical for epigenetic research and application Includes epigenetic applications for state-of-the-art technologies Contains a global perspective on the future of epigenetics
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2732 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Bioisosteres in Medicinal Chemistry written by Nathan Brown and published by John Wiley & Sons. This book was released on 2012-06-18 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.
Download or read book Textbook of Organic Medicinal and Pharmaceutical Chemistry written by Charles Owens Wilson and published by Lippincott Williams & Wilkins. This book was released on 1977 with total page 1140 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Superbases for Organic Synthesis written by Tsutomu Ishikawa and published by John Wiley & Sons. This book was released on 2009-01-26 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Guanidines, amidines and phosphazenes have been attracting attention in organic synthesis due to their potential functionality resulting from their extremely strong basicity. They are also promising catalysts because of their potential for easy molecular modification, possible recyclability, and reduced or zero toxicity. Importantly, these molecules can be derived as natural products – valuable as scientists move towards “sustainable chemistry”, where reagents and catalysts are derived from biomaterial sources. Superbases for Organic Synthesis is an essential guide to these important molecules for preparative organic synthesis. Topics covered include the following aspects: an introduction to organosuperbases physicochemical properties of organic superbases amidines and guanidines in organic synthesis phosphazene: preparation, reaction and catalytic role polymer-supported organosuperbases application of organosuperbases to total synthesis related organocatalysts: proton sponges and urea derivatives amidines and guanidines in natural products and medicines Superbases for Organic Synthesis is a comprehensive, authoritative and up-to-date guide to these important reagents for organic chemists, drug discovery researchers and those interested in the chemistry of natural products.
Download or read book Applications of Heterocycles in the Design of Drugs and Agricultural Products written by and published by Academic Press. This book was released on 2021-06-09 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of Heterocycles in the Design of Drugs and Agricultural Products, Volume 134 in the Advances in Heterocyclic Chemistry series represents the most definitive series in the field - one of great importance to organic chemists, polymer chemists, and many biological scientists. Chapters in this updated volume cover Hydroxy azoles as carboxylic acid bioisosteres, Cyclic sulfoxides and sulfones in drug design, Thiazoles and topological control in drug design, Applications of fused pyrrolidine [3.3.0] heterocycles in drug design, 1,4 Disubstituted and 1,4,5 trisubstituted-1,2,3-triazoles in drug discovery and development: from the flask to the clinic, and Conformationally restricted [3.2.2]- and [3.2.1]-3-azabicyclic diamines. Because biology and organic chemistry increasingly intersect, the associated nomenclature is being used more frequently in explanations. Written by established authorities in the field from around the world, this comprehensive review combines descriptive synthetic chemistry and mechanistic insight to yield an understanding of how chemistry drives the preparation and useful properties of heterocyclic compounds. Considered the definitive serial in the field of heterocyclic chemistry Serves as the go-to reference for organic chemists, polymer chemists and biological scientists Provides the latest, comprehensive reviews written by established authorities in the field Combines descriptive synthetic chemistry and mechanistic insight to enhance understanding of how chemistry drives the preparation and useful properties of heterocyclic compounds
Download or read book Pharmacoepigenetics written by Ramón Cacabelos and published by Elsevier. This book was released on 2024-09-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmacoepigenetics, Second Edition, a volume within the Translational Epigenetics series, is a comprehensive reference on the role of epigenetics and epigenomics in drug discovery and development, providing a detailed, but accessible view of the field, from basic principles to applications in disease therapeutics. Leading international researchers from across academia, clinical settings, and the pharmaceutical industry discuss the influence of epigenetics and epigenomics in human pathology, epigenetic biomarkers for disease prediction, diagnosis, and treatment, current epigenetic drugs, and the application of epigenetic procedures in drug development. Throughout the book, chapter authors offer a balanced and objective discussion of the future of pharmacoepigenetics and its crucial contribution to the growth of precision and personalized medicine.The new edition has been fully revised to address recent advances in epigenetics, from new natural and synthetic compounds with epigenetic effects to the role of epigenetics in the pathogenesis of a growing number of complex diseases, including further cancers, cardiovascular disorders, and brain disorders. Newly identified molecular components in the functional architecture of the epigenetic machinery, as well as practical and relevant pharmacoepigenetics topics related to COVID-19 and other world health challenges, are also discussed. Each chapter has been updated to include a chapter summary, keywords and definitions, and further color figure and charts for learning reinforcement, along with clinical research case studies illustrating key research in the field and making findings and research approaches more actionable for readers. Fully examines the influence of epigenetics and epigenomics in human pathology, epigenetic biomarkers for disease prediction, diagnosis, treatment, current epigenetic drugs, and the application of epigenetic procedures in drug development Features chapter contributions from leading international researchers in academia, clinical settings, and the pharmaceutical industry Instructs researchers, students, and clinicians in better interpreting and employing pharmacoepigenetics in drug development, efficiency, and safety Incorporates recent advances, including epigenetic drugs and biomolecules with epigenetic effects in cancer, cardiovascular disorders, brain disorders, and COVID-19 Includes chapter definitions, key words, and summaries to reinforce understanding, as well clinical research case studies illustrating key research in the field
Download or read book Hydrogen Bond Networks written by M.C. Bellissent-Funel and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Download or read book Epigenetic Cancer Therapy written by Steven Gray and published by Elsevier. This book was released on 2023-05-03 with total page 773 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epigenetic Cancer Therapy, Second Edition provides a comprehensive discussion of healthy and aberrant epigenetic biology, along with new discoveries to improve our understanding of cancer epigenetics and therapeutics. The book encompasses large-scale intergovernmental initiatives, as well as recent findings across cancer stem cells, rational drug design, clinical trials, and chemopreventative strategies. As a whole, the work articulates and raises the profile of epigenetics as a therapeutic option in the future management of cancer. Since the publication of the first edition of this book, the field of epigenetics has undergone significant change. New epigenetic therapies have been designed and approved for clinical use. Our knowledge of the plasticity of the epigenome in cancer and disease has expanded dramatically, with increasing evidence linking pollution to epigenetic changes in cancer development. This second edition has been fully updated to address these changes, along with promising therapeutic programs such as CRISPR/Cas9 mediated approaches, CAR-T based therapies, epigenetic priming, histone modifications, and similar, transformative advances across synthetic biology and cellular engineering. Concisely summarizes the therapeutic implications of recent, large-scale epigenome studies Covers new findings in the interplay between cancer stem cells (CSCs) and drug resistance, thus demonstrating that epigenetic machinery is a candidate target for the eradication of these CSCs Provides a fully updated resource on new topics, including the epitranscriptome, oncohistones, single cell analysis, epigenetic priming, CRISPR therapy, CAR-T therapy, and epigenetics and pollution Features chapter contributions from leading experts in the field
Download or read book Integration of Pharmaceutical Discovery and Development written by Ronald T. Borchardt and published by Springer Science & Business Media. This book was released on 2006-01-19 with total page 627 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the late 1980s, it became painfully evident to the pharmaceutical industry that the old paradigm of drug discovery, which involved highly segmented drug - sign and development activities, would not produce an acceptable success rate in the future. Therefore, in the early 1990s a paradigm shift occurred in which drug design and development activities became more highly integrated. This new str- egy required medicinal chemists to design drug candidates with structural f- tures that optimized pharmacological (e. g. , high affinity and specificity for the target receptor), pharmaceutical (e. g. , solubility and chemical stability), bioph- maceutical (e. g. , cell membrane permeability), and metabolic/pharmacokinetic (e. g. , metabolic stability, clearance, and protein binding) properties. Successful implementation of this strategy requires a multidisciplinary team effort, incl- ing scientists from drug design (e. g. , medicinal chemists, cell biologists, en- mologists, pharmacologists) and drug development (e. g. , analytical chemists, pharmaceutical scientists, physiologists, and molecular biologists representing the disciplines of pharmaceutics, biopharmaceutics, and pharmacokinetics/drug metabolism). With this new, highly integrated approach to drug design now widely utilized by the pharmaceutical industry, the editors of this book have provided the sci- tific community with case histories to illustrate the nature of the interdisciplinary interactions necessary to successfully implement this new approach to drug d- covery. In the first chapter, Ralph Hirschmann provides a historical perspective of why this paradigm shift in drug discovery has occurred.
Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. Includes numerous practical examples related to QSAR methods and applications Follows the Organization for Economic Co-operation and Development principles for QSAR model development Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools
Download or read book In cell NMR Spectroscopy written by Yutaka Ito and published by Royal Society of Chemistry. This book was released on 2019-12-13 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.
Download or read book Advances in Molecular Toxicology written by and published by Academic Press. This book was released on 2015-10-11 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Molecular Toxicology features the latest advances in the subspecialties of the broad area of molecular toxicology. This series details the study of the molecular basis of toxicology by which a vast array of agents encountered in the human environment and produced by the human body manifest themselves as toxins. The book is not strictly limited to documenting these examples, but also covers the complex web of chemical and biological events that give rise to toxin-induced symptoms and disease. The new technologies that are being harnessed to analyze and understand these events will also be reviewed by leading workers in the field.
