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Author: Ruchi Kohli
Publisher: Anchor Academic Publishing
ISBN: 3960675046
Category : Science
Languages : en
Pages : 396
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Book Description
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.
Author: Ruchi Kohli
Publisher: Anchor Academic Publishing
ISBN: 3960675046
Category : Science
Languages : en
Pages : 396
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Book Description
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.
Author: Francesco Crea
Publisher: MDPI
ISBN: 3039284525
Category : Medical
Languages : en
Pages : 218
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Book Description
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.
Author: Lisa K. Minor
Publisher: CRC Press
ISBN: 1420015702
Category : Medical
Languages : en
Pages : 490
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Book Description
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.
Author: Wolfgang Sippl
Publisher: John Wiley & Sons
ISBN: 3527809260
Category : Medical
Languages : en
Pages : 480
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Book Description
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.
Author: Yujun George Zheng
Publisher: Academic Press
ISBN: 0128013273
Category : Science
Languages : en
Pages : 516
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Book Description
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
Author:
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 2732
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Book Description
Author: Nathan Brown
Publisher: John Wiley & Sons
ISBN: 3527654321
Category : Medical
Languages : en
Pages : 249
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Book Description
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.
Author: Tsutomu Ishikawa
Publisher: John Wiley & Sons
ISBN: 9780470740866
Category : Science
Languages : en
Pages : 336
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Book Description
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.
Author: Charles Owens Wilson
Publisher: Lippincott Williams & Wilkins
ISBN:
Category : Chemistry, Organic
Languages : en
Pages : 1140
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Book Description
Author:
Publisher: Academic Press
ISBN: 0128201827
Category : Science
Languages : en
Pages : 332
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Book Description
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
