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Molecular Recognition In Pharmacology
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Book Synopsis Drug-like Properties: Concepts, Structure Design and Methods by : Li Di
Download or read book Drug-like Properties: Concepts, Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint
Book Synopsis Molecular Recognition in Pharmacology by : Mikhail Darkhovskiy
Download or read book Molecular Recognition in Pharmacology written by Mikhail Darkhovskiy and published by CRC Press. This book was released on 2023-12-11 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique volume traces the behavior of the drug substance, starting from the initial pre-contact stage, and ending with the formation of the complex. Molecular recognition lies in the foundation of every life form and includes many mysteries. Currently, studies on this topic in pharmacology are limited to determining the properties of complexes of medicinal substances (drugs) with specific (complementary) biomolecules: receptors, enzymes, ion channels etc. The results present the mechanisms preventing drugs from such non-specific binding. This direction is very fruitful, although the phenomenon of molecular recognition is far wider. Features Presents the basics of thermodynamics and kinetics of complex formation between ligands and receptors Selected novel therapeutic concepts are tested and validated Provides a review of the pharmacophore approach and drug design methods By its nature, pharmacology is a multi-disciplinary science, hence, disciplinary areas include chemistry, biology and neuroscience Discusses hot topics including 3D structure determination techniques and in silico methods and neural networks The main theme of the book is the consideration of mechanisms created by nature to protect physiologically active substances from being stuck on nonspecific acceptors in the body. The book describes the materials that aid in the development of new medicinal substances. It is intended for researchers, as well as upper-level undergraduate and graduate students interested in the problems of molecular pharmacology and drug design.
Book Synopsis Drug Efflux Pumps in Cancer Resistance Pathways: From Molecular Recognition and Characterization to Possible Inhibition Strategies in Chemotherapy by :
Download or read book Drug Efflux Pumps in Cancer Resistance Pathways: From Molecular Recognition and Characterization to Possible Inhibition Strategies in Chemotherapy written by and published by Academic Press. This book was released on 2019-11-27 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drug Efflux Pumps in Cancer Resistance Pathways: From Molecular Recognition and Characterization to Possible Inhibition Strategies in Chemotherapy, Volume Seven, describes the fundamental aspects of efflux pumps of the ATP-binding cassette superfamily in cancer resistance pathways, along with strategies to target and improve chemotherapy efficacy. Pumps of the ATP-binding cassette superfamily (ABCs) regulate the access of drugs to the intracellular space. In this context, the overexpression of ABCs is a well-known mechanism of multidrug resistance in cancer and is associated with therapeutic failure. Cancer types discussed include breast, endocrine, hematologic, gastrointestinal, musculoskeletal, lung, skin and central nervous system cancers. The book is a valuable source for researchers and advanced students in cancer, biology, pharmacology, pharmaceutical sciences, biomaterials and medical/clinical sciences that are interested in accessing a comprehensive compendium on efflux pumps in mechanisms of cancer resistance. Offers comprehensive and detailed descriptions of the basic aspects of efflux pumps in a very schematic and didactic manner Describes the involvement of efflux pumps in cancer resistance in different cancer types Encompasses an updated overview on state-of-the-art approaches that capitalize on their inhibition to improve chemotherapy and overcome resistance
Book Synopsis Pharmacological Aspects of Molecular Recognition by : F. S. Dukhovich
Download or read book Pharmacological Aspects of Molecular Recognition written by F. S. Dukhovich and published by Nova Publishers. This book was released on 2005 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the monograph, recognition of the receptors by drugs is described as a complex phenomenon that has not been yet entirely understood. The description of molecular structure information necessary to achieve specific receptors without getting lost among huge amounts of non-specific acceptors is present. Various examples of receptor' binding features for narcotic analgetics, neuroleptics, tranquilisators, ligands of acetylcholine receptors are also included. The three stages of drug interaction with acceptors are considered, namely, distant stage, stage of orientation of the molecule on the acceptor, stage of molecule fixation. Kinetics and thermodynamics of these stages as well as factors preventing drug binding to non-specific acceptors are described. Some considerations concerning methods of changing activity and selectivity of drugs are given. Literature information needed for analysis of molecular mechanisms of interactions between drugs and receptors is present.
Book Synopsis The Molecular Theory of Gases and Liquids by : Joseph O. Hirschfelder
Download or read book The Molecular Theory of Gases and Liquids written by Joseph O. Hirschfelder and published by John Wiley & Sons. This book was released on 1964-01-15 with total page 1283 pages. Available in PDF, EPUB and Kindle. Book excerpt: An essential cross-disciplinary reference for molecular interactions Molecular Theory of Gases and Liquids offers a rigorous, comprehensive treatment of molecular characteristics and behaviors in the gaseous and fluid states. A unique cross-disciplinary approach provides useful insight for students of chemistry, chemical engineering, fluid dynamics, and a variety of related fields, with thorough derivations and in-depth explanations throughout. Appropriate for graduate students and working scientists alike, this book details advanced concepts without sacrificing depth of coverage or technical detail.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Molecular Modeling in Drug Design by : Rebecca Wade
Download or read book Molecular Modeling in Drug Design written by Rebecca Wade and published by MDPI. This book was released on 2019-03-26 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges. The topics covered include virtual screening and pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling to investigate contributions of molecular flexibility to drug–receptor interactions, the modeling of drug–receptor solvation, hydrogen bonding and polarization, and drug design against protein–protein interfaces and membrane protein receptors.
Book Synopsis The History of Cyclodextrins by : Grégorio Crini
Download or read book The History of Cyclodextrins written by Grégorio Crini and published by Springer Nature. This book was released on 2020-09-29 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the historical development of Cyclodextrins by scientists who have made outstanding contribution to the field. Cyclodextrins are safe, cage-like molecules that have found major applications in many industrial sectors such as medicine, food, agriculture, environment and chemistry.
Book Synopsis Textbook of Drug Design and Discovery, Third Edition by : Tommy Liljefors
Download or read book Textbook of Drug Design and Discovery, Third Edition written by Tommy Liljefors and published by CRC Press. This book was released on 2002-07-25 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Building on the success of the previous editions, Textbook of Drug Design and Discovery has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The book follows drug design from the initial lead identification through optimization and structure-activity relationship with reference to the final processes of clinical evaluation and registration. Chapters investigate the design of enzyme inhibitors and drugs for particular cellular targets such as ion channels and receptors, and also explore specific classes of drug such as peptidomimetics, antivirals and anticancer agents. The use of gene technology in pharmaceutical research, computer modeling techniques, and combinatorial approaches are also included.
Book Synopsis Basics of Molecular Recognition by : Dipankar Chatterji
Download or read book Basics of Molecular Recognition written by Dipankar Chatterji and published by CRC Press. This book was released on 2016-04-05 with total page 139 pages. Available in PDF, EPUB and Kindle. Book excerpt: Basics of Molecular Recognition explores fundamental recognition principles between monomers or macromolecules that lead to diverse biological functions. Based on the author's longtime courses, the book helps readers understand the structural aspects of macromolecular recognition and stimulates further research on whether molecules similar to DNA o
Book Synopsis Supramolecular Chemistry in Water by : Stefan Kubik
Download or read book Supramolecular Chemistry in Water written by Stefan Kubik and published by John Wiley & Sons. This book was released on 2019-09-03 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides deep insight into the concepts and recent developments in the area of supramolecular chemistry in water Written by experts in their respective field, this comprehensive reference covers various aspects of supramolecular chemistry in water?from fundamental aspects to applications. It provides readers with a basic introduction to the current understanding of the properties of water and how they influence molecular recognition, and examines the different receptor types available in water and the types of substrates that can be bound. It also looks at areas to where they can be applied, such as materials, optical sensing, medicinal imaging, and catalysis. Supramolecular Chemistry in Water offers five major sections that address important topics like water properties, molecular recognition, association and aggregation phenomena, optical detection and imaging, and supramolecular catalysis. It covers chemistry and physical chemistry of water; water-mediated molecular recognition; peptide and protein receptors; nucleotide receptors; carbohydrate receptors; and ion receptors. The book also teaches readers all about coordination compounds; self-assembled polymers and gels; foldamers; vesicles and micelles; and surface-modified nanoparticles. In addition, it provides in-depth information on indicators and optical probes, as well as probes for medical imaging. -Covers, in a timely manner, an emerging area in chemistry that is growing more important every day -Addresses topics such as molecular recognition, aggregation, catalysis, and more -Offers comprehensive coverage of everything from fundamental aspects of supramolecular chemistry in water to its applications -Edited by one of the leading international scientists in the field Supramolecular Chemistry in Water is a one-stop-resource for all polymer chemists, catalytic chemists, biochemists, water chemists, and physical chemists involved in this growing area of research.
Book Synopsis Physico-chemical and Computational Approaches to Drug Discovery by : Javier Luque
Download or read book Physico-chemical and Computational Approaches to Drug Discovery written by Javier Luque and published by Royal Society of Chemistry. This book was released on 2012 with total page 443 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.
Book Synopsis Allosterism in Drug Discovery by : Dario Doller
Download or read book Allosterism in Drug Discovery written by Dario Doller and published by Royal Society of Chemistry. This book was released on 2016-11-24 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although the concept of allosterism has been known for over half a century, its application in drug discovery has exploded in recent years. The emergence of novel technologies that enable molecular-level ligand-receptor interactions to be studied in studied in unprecedented detail has driven this trend. This book, written by the leaders in this young research area, describes the latest developments in allosterism for drug discovery. Bringing together research in a diverse range of scientific disciplines, Allosterism in Drug Discovery is a key reference for academics and industrialists interested in understanding allosteric interactions. The book provides an in-depth review of research using small molecules as chemical probes and drug candidates that interact allosterically with proteins of relevance to life sciences and human disease. Knowledge of these interactions can then be applied in the discovery of the novel therapeutics of the future. This book will be useful for people working in all disciplines associated with drug discovery in academia or industry, as well as postgraduate students who may be working in the design of allosteric modulators.
Book Synopsis Dynamic Combinatorial Chemistry by : Benjamin L. Miller
Download or read book Dynamic Combinatorial Chemistry written by Benjamin L. Miller and published by John Wiley & Sons. This book was released on 2009-12-30 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Effective techniques for applying Dynamic Combinatorial Chemistry In a relatively short period, Dynamic Combinatorial Chemistry (DCC) has grown from proof-of-concept experiments in a few isolated labs to a broad conceptual framework with applications to an exceptional range of problems in molecular recognition, lead compound identification, catalyst design, nanotechnology, polymer science, and others. Bringing together a group of respected experts, this overview explains how chemists can apply DCC and fragment-based library methods to lead generation for drug discovery and molecular recognition in bioorganic chemistry and materials science. Chapters cover: Basic theory Approaches to binding in proteins and nucleic acids Molecular recognition Self-sorting Catalyst discovery Materials discovery Analytical chemistry challenges A comprehensive, single-source reference about DCC methods and applications including aspects of fragment-based drug discovery, this is a core reference that will spark the development of new solutions and strategies for chemists building structure libraries and designing compounds and materials.
Book Synopsis Thermodynamics and Kinetics of Drug Binding by : György Keserü
Download or read book Thermodynamics and Kinetics of Drug Binding written by György Keserü and published by John Wiley & Sons. This book was released on 2015-08-17 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.
Book Synopsis Molecular Basis of Specificity in Nucleic Acid-Drug Interactions by : A. Pullman
Download or read book Molecular Basis of Specificity in Nucleic Acid-Drug Interactions written by A. Pullman and published by Springer. This book was released on 2012-10-29 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the central problems in the study of the mechanism of DNA-ligand interactions is the existence and nature of sequence specificity with respect to the base pairs of DNA. The presence of such a specificity could be of particular significance because it might possibly mean the involvement of specific genes in the effectiveness of the different drugs. The elucidation of the factors responsible for the specificity could then be important for the development of compounds susceptible to contribute to the control of gene expression and also to the development of rationally conceived, improved new generations of effective and specific chemotherapeutic agents. Important recent achievements, experimental and theoretical, in the analysis of such sequence specificities open prospects for possible rapid progress in this field. The 23rd Jerusalem symposium was devoted to the exploration of these recent achievements in relation to many types of ligand, with special emphasis on antitumor drugs. All major types of interaction, intercalation, groove binding, covalent linking, coordination, have been considered. So was also the effect of the interaction on the structure and properties of the nucleic acids and the relationship between the interaction and biological or pharmacological activities. We feel that this Volume presents a relatively complete up-to-date account of the state of the art in this important field of research.
Book Synopsis Spectroscopy and Modeling of Biomolecular Building Blocks by : Jean-Pierre Schermann
Download or read book Spectroscopy and Modeling of Biomolecular Building Blocks written by Jean-Pierre Schermann and published by Elsevier. This book was released on 2007-10-16 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. - Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules - Includes case studies of experimental investigations coupled to quantum or classical calculations
