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 2016-07 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book 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 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 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 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 Pharmacoepigenetics written by Ramón Cacabelos and published by Academic Press. This book was released on 2019-06-04 with total page 986 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmacoepigenetics provides a comprehensive volume 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. - 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 on how to better interpret and employ pharmacoepigenetics in drug development, efficiency and safety - Provides a balanced and objective discussion of the future of pharmacoepigenetics and its crucial role in precision medicine
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2730 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 Epi Informatics written by Jose Medina-Franco and published by Academic Press. This book was released on 2016-02-24 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes features multidisciplinary strategies with strong computational approaches that have led to the successful discovery and/or optimization of compounds that act as modulators of epigenetic targets. This book is intended for all those using or wanting to learn more about computational methodologies in epigenetic drug discovery, including molecular modelers, informaticians, pharmaceutical scientists, and medicinal chemists. With a better understanding of different molecular modeling and cheminformatic approaches, readers can incorporate these techniques into their own drug discovery projects that may involve chemical synthesis and medium- or high-throughput screening. In addition, this book highlights the significance of epigenetic targets to the public health for molecular modelers and chemoinformatians. The goal of this reference is to stimulate ongoing multidisciplinary research and to further improve current computational methodologies and workflows in order to accelerate the discovery and development of epi-drugs and epi-probes. - Focuses on the discovery of epi-drugs as candidates to be used in therapy including combined therapies - Describes new computational methodologies and screening assays utilizing recent and emerging novel structural data - Highlights the discovery, development and optimization of epi-probes, which are molecular probes that elucidate epigenetic mechanisms - Includes important topics such as computational-guided optimization of epi-hits, virtual screening to identify novel compounds for epigenetic targets, development and mining of epigenetic molecular databases, SAR modeling of screening data and much more
Download or read book Epigenetic Cancer Therapy written by Steven Gray and published by Academic Press. This book was released on 2015-07-01 with total page 748 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epigenetic Cancer Therapy unites issues central to a translational audience actively seeking to understand the topic. It is ideal for cancer specialists, including oncologists and clinicians, but also provides valuable information for researchers, academics, students, governments, and decision-makers in the healthcare sector. The text covers the basic background of the epigenome, aberrant epigenetics, and its potential as a target for cancer therapy, and includes individual chapters on the state of epigenome knowledge in specific cancers (including lung, breast, prostate, liver). The book encompasses both 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. - Concisely summarizes the therapeutic implications of recent, large-scale epigenome studies, including the cancer epigenome atlas - Discusses targeted isoform specific versus pan-specific inhibitors, a rational drug design approach to epigenetics relevant to pharmacoepigenetic clinical applications - Covers new findings in the interplay between cancer stem cells (CSCs) and drug resistance, demonstrating that epigenetic machinery is a candidate target for the eradication of these CSCs
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 1150 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Epigenetic Regulation in Overcoming Chemoresistance written by Chunfu Wu and published by Academic Press. This book was released on 2021-06-26 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epigenetic Regulation in Overcoming Chemoresistance, Volume 19, explains how epigenetic agents can enhance the chemotherapy sensitivity of diverse types of cancers. The book provides a comprehensive delineation and the recent development of the scientific studies on the epigenetic regulation in enhancing chemo-sensitivity. In addition, it discusses several topics such as DNA methyltransferase inhibitors (DNMTi), Histone deacetylases inhibitors (HDACi), Histone lysine demethylases inhibitors (HDMi), Histone lysine methyltransferases inhibitors (HMTi) and drugs regulating the microRNA, long non-coding RNA (lncRNA) or RNA methylation. Finally, recent and future developments of the field of epigenetic regulation are explored. This is a valuable resource for cancer researchers, clinicians, graduate students and several members of biomedical field who are interested in learning about epigenetic regulation methods to reverse chemo-resistance in cancers. - Presents detailed diagrams of the mechanisms of epigenetic regulation for easy consult - Encompasses multiple clinical trial summary diagrams to help readers quickly and clearly get information from clinical trials - Provides future perspectives in each section to inspire readers to use epigenetic regulation to overcome chemo-resistance
Download or read book In cell NMR Spectroscopy written by Yutaka Ito and published by Royal Society of Chemistry. This book was released on 2019-12-09 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.
Download or read book Practical Process Research and Development written by Neal G. Anderson and published by Academic Press. This book was released on 2012-05-23 with total page 489 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed to provide a comprehensive, step-by-step approach to organic process research and development in the pharmaceutical, fine chemical, and agricultural chemical industries, this book describes the steps taken, following synthesis and evaluation, to bring key compounds to market in a cost-effective manner. It describes hands-on, step-by-step, approaches to solving process development problems, including route, reagent, and solvent selection; optimising catalytic reactions; chiral syntheses; and "green chemistry." Second Edition highlights:• Reflects the current thinking in chemical process R&D for small molecules• Retains similar structure and orientation to the first edition. • Contains approx. 85% new material• Primarily new examples (work-up and prospective considerations for pilot plant and manufacturing scale-up)• Some new/expanded topics (e.g. green chemistry, genotoxins, enzymatic processes)• Replaces the first edition, although the first edition contains useful older examples that readers may refer to - Provides insights into generating rugged, practical, cost-effective processes for the chemical preparation of "small molecules" - Breaks down process optimization into route, reagent and solvent selection, development of reaction conditions, workup, crystallizations and more - Presents guidelines for implementing and troubleshooting processes
