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Small Molecule Drug Discovery

Small Molecule Drug Discovery Book
Author : Andrea Trabocchi,Elena Lenci
Publisher : Elsevier
Release : 2019-11-23
ISBN : 0128183500
Language : En, Es, Fr & De

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Book Description :

Small Molecule Drug Discovery: Methods, Molecules and Applications presents the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases. The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology. Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics Presents the most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules

Introduction to Biological and Small Molecule Drug Research and Development

Introduction to Biological and Small Molecule Drug Research and Development Book
Author : C. Robin Ganellin,Roy Jefferis,Stanley M. Roberts
Publisher : Academic Press
Release : 2013-05-07
ISBN : 0123977703
Language : En, Es, Fr & De

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Book Description :

Introduction to Biological and Small Molecule Drug Research and Development provides, for the first time, an introduction to the science behind successful pharmaceutical research and development programs. The book explains basic principles, then compares and contrasts approaches to both biopharmaceuticals (proteins) and small molecule drugs, presenting an overview of the business and management issues of these approaches. The latter part of the book provides carefully selected real-life case studies illustrating how the theory presented in the first part of the book is actually put into practice. Studies include Herceptin/T-DM1, erythropoietin (Epogen/Eprex/NeoRecormon), anti-HIV protease inhibitor Darunavir, and more. Introduction to Biological and Small Molecule Drug Research and Development is intended for late-stage undergraduates or postgraduates studying chemistry (at the biology interface), biochemistry, medicine, pharmacy, medicine, or allied subjects. The book is also useful in a wide variety of science degree courses, in post-graduate taught material (Masters and PhD), and as basic background reading for scientists in the pharmaceutical industry. For the first time, the fundamental scientific principles of biopharmaceuticals and small molecule chemotherapeutics are discussed side-by-side at a basic level Edited by three senior scientists with over 100 years of experience in drug research who have compiled the best scientific comparison of small molecule and biopharmaceuticals approaches to new drugs Illustrated with key examples of important drugs that exemplify the basic principles of pharmaceutical drug research and development

Natural Small Molecule Drugs from Plants

Natural Small Molecule Drugs from Plants Book
Author : Guan-Hua Du
Publisher : Springer
Release : 2018-11-19
ISBN : 9811080224
Language : En, Es, Fr & De

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Book Description :

This book discusses 120 types of natural, small-molecule drugs derived from plants. They are grouped into 7 parts according their clinical uses, such as drugs for cardiovascular diseases, for metabolic diseases, for neuropsychiatric diseases, for immune-mediated inflammatory diseases, anti-tumor drugs, and drugs for parasites and bacterial infection. Each chapter systematically summarizes one drug, including its physicochemical properties, sources, pharmacological effects and clinical applications. To help readers understand the drug better, the research and pharmacological activity for each drug is also described, which serves as a salutary lesson for future drug development. Written by frontline researchers, teachers and clinicians working in field of pharmacy and pharmacology it provides an overview of natural, small-molecule drugs derived from plants for researchers in the field.

Small Molecule Medicinal Chemistry

Small Molecule Medicinal Chemistry Book
Author : Werngard Czechtizky,Peter Hamley
Publisher : John Wiley & Sons
Release : 2015-11-02
ISBN : 1118771605
Language : En, Es, Fr & De

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Book Description :

Stressing strategic and technological solutions to medicinal chemistry challenges, this book presents methods and practices for optimizing the chemical aspects of drug discovery. Chapters discuss benefits, challenges, case studies, and industry perspectives for improving drug discovery programs with respect to quality and costs. • Focuses on small molecules and their critical role in medicinal chemistry, reviewing chemical and economic advantages, challenges, and trends in the field from industry perspectives • Discusses novel approaches and key topics, like screening collection enhancement, risk sharing, HTS triage, new lead finding approaches, diversity-oriented synthesis, peptidomimetics, natural products, and high throughput medicinal chemistry approaches • Explains how to reduce design-make-test cycle times by integrating medicinal chemistry, physical chemistry, and ADME profiling techniques • Includes descriptive case studies, examples, and applications to illustrate new technologies and provide step-by-step explanations to enable them in a laboratory setting

Essential Metals in Medicine Therapeutic Use and Toxicity of Metal Ions in the Clinic

Essential Metals in Medicine  Therapeutic Use and Toxicity of Metal Ions in the Clinic Book
Author : Peggy L. Carver
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2019-01-14
ISBN : 3110526980
Language : En, Es, Fr & De

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Book Description :

Volume 19, entitled Essential Metals in Medicine: Therapeutic Use and Toxicity of Metal Ions in the Clinic of the series Metal Ions in Life Sciences centers on the role of metal ions in clinical medicine. Metal ions are tightly regulated in human health: while essential to life, they can be toxic as well. Following an introductory chapter briefly discussing several important metal-related drugs and diseases and a chapter about drug development, the focus is fi rst on iron: its essentiality for pathogens and humans as well as its toxicity. Chelation therapy is addressed in the context of thalassemia, its relationship to neurodegenerative diseases and also the risks connected with iron administration are pointed out. A subject of intense debate is the essentiality of chromium and vanadium. For example, chromium(III) compounds are taken as a nutritional supplement by athletes and bodybuilders; in contrast, chromate, Cr(VI), is toxic and a carcinogen for humans. The benefi cial and toxic effects of manganese, cobalt, and copper on humans are discussed. The need for antiparasitic agents is emphasized as well as the clinical aspects of metal-containing antidotes for cyanide poisoning. In addition to the essential and possibly essential ones, also other metal ions play important roles in human health, causing harm (like the metalloid arsenic, lead or cadmium) or being used in diagnosis or treatment of human diseases, like gadolinium, gallium, lithium, gold, silver or platinum. The impact of this vibrant research area on metals in the clinic is provided in 14 stimulating chapters, written by internationally recognized experts from the Americas, Europe and China, and is manifested by approximately 2000 references, and about 90 illustrations and tables. Essential Metals in Medicine: Therapeutic Use and Toxicity of Metal Ions in the Clinic is an essential resource for scientists working in the wide range from pharmacology, enzymology, material sciences, analytical, organic, and inorganic biochemistry all the way through to medicine ... not forgetting that it also provides excellent information for teaching.

Biophysical Techniques in Drug Discovery

Biophysical Techniques in Drug Discovery Book
Author : Angeles Canales
Publisher : Royal Society of Chemistry
Release : 2017-11-20
ISBN : 1782627332
Language : En, Es, Fr & De

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Book Description :

Biophysical techniques are used in many key stages of the drug discovery process including in screening for new receptor ligands, in characterising drug mechanisms, and in validating data from biochemical and cellular assays. This book provides an overview of the biophysical methods applied in drug discovery today, including traditional techniques and newer developments. Perspectives from academia and industry across a spectrum of techniques are brought together in a single volume. Small and biotherapeutic approaches are covered and strengths and limitations of each technique are presented. Case studies illustrate the application of each technique in real applied examples. Finally, the book covers recent developments in areas such as electron microscopy with discussions of their possible impact on future drug discovery. This is a go-to volume for biophysicists, analytical chemists and medicinal chemists providing a broad overview of techniques of contemporary interest in drug discovery.

Introduction to Biological and Small Molecule Drug Research and Development

Introduction to Biological and Small Molecule Drug Research and Development Book
Author : Michael Stocks
Publisher : Elsevier Inc. Chapters
Release : 2013-05-07
ISBN : 0128061936
Language : En, Es, Fr & De

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Book Description :

Drug discovery of small molecules from target selection through to clinical evaluation is a very complex, challenging but rewarding area of drug discovery. There are many obstacles along the journey from initial hit-finding activities, through optimization of compounds and eventually to delivery of robust candidate drugs (CDs) for clinical evaluation. This chapter presents key issues and literature solutions with respect to the optimization of hits into CDs. Details of the key hit-finding activities namely high-throughput screening, virtual screening, natural products, fragment-based drug discovery and fast-follower approaches are discussed. Key aspects of compound quality such as lipophilicity, solubility, drug metabolism and pharmacokinetic, plasma protein binding and cytochrome P450 inhibition/induction are discussed as well as potential safety liabilities such as human ether-a-go-go related gene, genotoxicity and phospholipidosis, Finally successful hit-to-lead and lead optimization case studies are presented to illustrate and highlight the key principles.

Early stage Small molecule Drug Discovery

Early stage Small molecule Drug Discovery Book
Author : Wellcome Trust (London, England)
Publisher : Unknown
Release : 2011
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Early stage Small molecule Drug Discovery book written by Wellcome Trust (London, England), available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

The Medicinal Chemist s Guide to Solving ADMET Challenges

The Medicinal Chemist s Guide to Solving ADMET Challenges Book
Author : Patrick Schnider
Publisher : Royal Society of Chemistry
Release : 2021-08-20
ISBN : 1839160497
Language : En, Es, Fr & De

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Book Description :

The Medicinal Chemist’s Guide to Solving ADMET Challenges summarizes a series of design strategies and tactics that have been successfully employed across pharmaceutical and academic laboratories to solve common ADMET issues. These are exemplified with a curated collection of concrete examples displayed in a highly visual “table-of-contents” style format, allowing readers to rapidly identify the most promising approaches applicable to their own challenges. Each ADMET parameter is introduced in a concise yet comprehensive manner and includes background, relevance and screening strategies. Medicinal chemistry knowledge of how best to modify molecular structure to solve ADMET issues is challenging to retrieve from the literature, public databases and even corporate data warehouses. The Medicinal Chemist’s Guide to Solving ADMET Challenges addresses this gap by presenting state-of-the-art design strategies put together by a global group of experienced medicinal chemists and ADMET experts across academia and the pharmaceutical industry.

Protein Degradation with New Chemical Modalities

Protein Degradation with New Chemical Modalities Book
Author : Hilmar Weinmann,Craig Crews
Publisher : Royal Society of Chemistry
Release : 2020-10-07
ISBN : 1839160772
Language : En, Es, Fr & De

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Book Description :

Targeting protein degradation using small molecules is one of the most exciting small-molecule therapeutic strategies in decades and a rapidly growing area of research. In particular, the development of proteolysis targeting chimera (PROTACs) as potential drugs capable of recruiting target proteins to the cellular quality control machinery for elimination has opened new avenues to address traditionally ‘difficult to target’ proteins. This book provides a comprehensive overview from the leading academic and industrial experts on recent developments, scope and limitations in this dynamically growing research area; an ideal reference work for researchers in drug discovery and chemical biology as well as advanced students.

Successful Drug Discovery

Successful Drug Discovery Book
Author : János Fischer,David P. Rotella
Publisher : John Wiley & Sons
Release : 2015-01-30
ISBN : 352767845X
Language : En, Es, Fr & De

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Book Description :

The first volume of the book series "Successful Drug Discovery" is focusing on new drug discoveries during the last decade, from established drugs to recently introduced drugs of all kinds: small-molecule-, peptide-, and protein-based drugs. The role of serendipity is analyzed in some very successful drugs where the research targets of the lead molecule and the drug are different. Phenotypic and target-based drug discovery approaches are discussed from the viewpoint of pioneer drugs and analogues. This volume gives an excellent overview of insulin analogues including a discussion of the properties of rapid-acting and long-acting formulations of this important hormone. The major part of the book is devoted to case histories of new drug discoveries described by their key inventors. Eight case histories range across many therapeutic fields. The goal of this book series is to help the participants of the drug research community with a reference book series and to support teaching in medicinal chemistry with case histories and review articles of new drugs.

Structural Biology in Drug Discovery

Structural Biology in Drug Discovery Book
Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
Release : 2020-01-09
ISBN : 1118900502
Language : En, Es, Fr & De

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Book Description :

With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins

Reactive Oxygen Species

Reactive Oxygen Species Book
Author : Harald H. H. W. Schmidt,Pietro Ghezzi,Antonio Cuadrado
Publisher : Springer Nature
Release : 2021-02-23
ISBN : 3030685101
Language : En, Es, Fr & De

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Book Description :

Reactive oxygen species (ROS) have been implicated in almost every human disease phenotype, without much, if any, therapeutic consequence foremost exemplified by the failure of the so-called anti-oxidants. This book is a game changer for the field and many clinical areas such as cardiology and neurology. The term ‘oxidative stress’ is abandoned and replaced with a systems medicine and network pharmacology-based mechanistic approach to disease. The ROS-related drugs discussed here target either ROS- forming or ROS -modifying enzymes for which there is strong clinical evidence. In addition, ROS targets are included as they jointly participate in causal mechanisms of disease. This approach is transforming the ROS field and represents a breakthrough in redox medicine indicating a path to patient benefit. In the coming years more targets and drugs may be discovered, but the approach will remain the same and this book will thus become, and for many years remain, the leading reference for ROSopathies and their treatment by network pharmacology. Chapter "Soluble Guanylate Cyclase Stimulators and Activators" is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

Engineering the Microbial Platform for the Production of Biologics and Small Molecule Medicines

Engineering the Microbial Platform for the Production of Biologics and Small Molecule Medicines Book
Author : Dipesh Dhakal,Eung-Soo Kim,Mattheos Koffas
Publisher : Frontiers Media SA
Release : 2019-12-23
ISBN : 2889632539
Language : En, Es, Fr & De

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Book Description :

Download Engineering the Microbial Platform for the Production of Biologics and Small Molecule Medicines book written by Dipesh Dhakal,Eung-Soo Kim,Mattheos Koffas, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Introduction to Biological and Small Molecule Drug Research and Development

Introduction to Biological and Small Molecule Drug Research and Development Book
Author : James Samanen
Publisher : Elsevier Inc. Chapters
Release : 2013-05-07
ISBN : 0128061952
Language : En, Es, Fr & De

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Book Description :

Biotechnology has given rise to a broad range of biotherapies or biologics, including biomolecular drugs, vaccines, cell or gene therapies. This chapter focuses on biomolecular drugs, namely monoclonal antibodies (Mabs), cytokines, tissue growth factors and therapeutic proteins. Prior to the US approval of recombinant human insulin in 1982, biomolecular drugs were extracted from natural sources. The tools of molecular biology have dramatically increased the discovery and development of new biopharmaceuticals. The most obvious difference between small-molecule drugs (SMDs) and biomolecular drugs is size, like the difference in weight between a bicycle and a business jet. SMDs and biomolecular drugs are compared in this chapter by structure, molecular weight, preparation, physicochemical properties, and route of administration, as well as distribution, metabolism, serum half-life, dosing regimen, species reactivity, antigenicity & hypersensitivity, clearance mechanisms, drug–drug interactions, and pharmacology. This chapter reviews the differences and similarities in the various stages of drug discovery and development, with respect to cost, probability of success and cycle time. The clinical metrics of overall clinical success rate, stage-related success rate, and clinical cycle time are examined for SMDs and biomolecular drugs. The hybrid class of peptide drugs tends to be equated with biologics, due to their amino acid content and because oral activity is rare. But peptides truly bridge the gap between small molecules and biologics, in terms of physical properties, range of therapy areas and means of production. This chapter summarizes the similarities and differences of peptide drugs with SMDs and biomolecular drugs. The manner in which these agents compare as products with respect to manufacturing and pricing are considered. Two case studies are presented—the antagonists where small-molecule, peptide and Mab agents have competed in the market, and Her2 inhibitors where small-molecule and Mab agents may ultimately synergize as a combination product. Biomolecular drugs have levelled the playing field. All the “big Pharma” companies now have the capacity to develop both types of drugs. Conversely the larger biotech companies are developing the capacity for small-molecule synthesis. Now, with many blockbuster biologics nearing patent expiration, biosimilars are on the way. It's no longer a question of “choose which type”—one will need to know how to discover and develop either type of drug.

Applied Biophysics for Drug Discovery

Applied Biophysics for Drug Discovery Book
Author : Donald Huddler,Edward R. Zartler
Publisher : John Wiley & Sons
Release : 2017-10-02
ISBN : 111909948X
Language : En, Es, Fr & De

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Book Description :

13.2.1 Protein Dynamics of SA WT and S1 Mutant DHFR in Apo and Bound States

New Frontiers in Chemical Biology

New Frontiers in Chemical Biology Book
Author : Mark E. Bunnage
Publisher : Royal Society of Chemistry
Release : 2010-11
ISBN : 184973125X
Language : En, Es, Fr & De

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Book Description :

This book highlights the new frontiers in chemical biology and describes their impact and future potential in drug discovery.

Macrocycles in Drug Discovery

Macrocycles in Drug Discovery Book
Author : Jeremy I Levin
Publisher : Royal Society of Chemistry
Release : 2014-10-16
ISBN : 1849737010
Language : En, Es, Fr & De

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Book Description :

This book reviews macrocycles in drug discovery, both those of natural origin and semi-synthetic derivatives of natural products, and those designed and synthesized based on principles of medicinal chemistry. The medicinal chemistry of macrocyclic natural products is interesting in itself, but lessons learned from these compounds, in terms of the relationship between structure and desirable physicochemical properties, are now informing the design of fully synthetic macrocyclic drug candidates against a variety of targets including kinases, ATPases, proteases, GPCRs and others. Furthermore, as more non-classical drug targets, such as protein-protein interactions, are pursued in the pharmaceutical industry, macrocyclic molecules are generating increasing interest as they offer a way to provide drug-protein interactions that cover a larger surface area than traditional small molecules. A variety of macrocycles have become important drugs or have been identified as leads to marketed drugs. This text will discuss these compounds, their pharmacology and synthesis, in the context of their broad chemotype as compounds composed of large rings. Providing a wide reaching review of this important area in a single volume, this book will be of interest to biochemists, pharmaceutical scientists and medicinal chemists working in industry or academia.

Drug Design and Discovery

Drug Design and Discovery Book
Author : Seetharama D. Satyanarayanajois
Publisher : Humana Press
Release : 2011-02-17
ISBN : 9781617790119
Language : En, Es, Fr & De

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Book Description :

Research in the pharmaceutical sciences and medicinal chemistry has taken an important new direction in the past two decades with a focus on large molecules, especially peptides and proteins, as well as DNA therapeutics. In Drug Design and Discovery: Methods and Protocols, leading experts provide an in-depth view of key protocols that are commonly used in drug discovery laboratories. Covering both classic and cutting-edge techniques, this volume explores computational docking, quantitative structure-activity relationship (QSAR), peptide synthesis, labeling of peptides and proteins with fluorescent labels, DNA-microarray, zebrafish model for drug screening, and other analytical screening and biological assays that are routinely used during the drug discovery process. Written in the highly successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Thorough and accessible, Drug Design and Discovery: Methods and Protocols serve as a vital laboratory reference for pharmaceutical chemists, medicinal chemists, and pharmacologists as well as for molecular biologists.

Applications of Machine Learning

Applications of Machine Learning Book
Author : Prashant Johri,Jitendra Kumar Verma,Sudip Paul
Publisher : Springer Nature
Release : 2020-05-04
ISBN : 9811533571
Language : En, Es, Fr & De

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Book Description :

This book covers applications of machine learning in artificial intelligence. The specific topics covered include human language, heterogeneous and streaming data, unmanned systems, neural information processing, marketing and the social sciences, bioinformatics and robotics, etc. It also provides a broad range of techniques that can be successfully applied and adopted in different areas. Accordingly, the book offers an interesting and insightful read for scholars in the areas of computer vision, speech recognition, healthcare, business, marketing, and bioinformatics.