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Open access databases and datasets for drug discovery

With an overview of 90 freely accessible databases and datasets on all aspects of drug design, development, and discovery, Open Access Databases and Datasets for Drug Discovery is a comprehensive guide to the vast amount of “free data” available to today’s pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated. The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process.

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Nanotechnology in therapeutics : Basics and trends

Nanotechnology delivers a unique approach, which promises higher drug efficacy, targeted drug delivery, on demand delivery, biocompatibility, etc. For example, nanotechnology-based delivery systems can protect drugs from degradation and help reduce the number of doses required, make treatment a better experience and reduce treatment expenses and a number of nano-based systems allow delivery of insoluble drugs, allowing the use of previously rejected drugs or drugs which are difficult to administer.

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Medicinal Chemistry for Practitioners

Presenting both a panoramic introduction to the essential disciplines of drug discovery for novice medicinal chemists as well as a useful reference for veteran drug hunters, this book summarizes the state-of-the-art of medicinal chemistry. It covers key drug targets including enzymes, receptors, and ion channels, and hit and lead discovery. The book hen surveys a drug's pharmacokinetics and toxicity, with a solid chapter covering fundamental bioisosteres as a guide to structure-activity relationship investigations.

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Ion channels as targets in drug discovery

Built around ion channel research and, more specifically, ion channels as important therapeutic drug targets. Under the editorial leadership of Gary Stephens in academic research and Edward Stevens from industry, the aim is to bring these strands together to provide a cutting-edge translational reference on ion channel drug discovery. Exploiting our knowledge of ion channel structure and function has clear current and future potential to intervene and correct the pathophysiology associated with debilitating conditions, including cardiovascular disease, diabetes, cystic fibrosis, pain, epilepsy, and neurodegenerative disorders. Individual chapters have a disease focus, also providing a “case study story” that will also appeal to a clinical audience

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Imaging in Drug Discovery and Early Clinical Trials

Efficient tools for the selection and validation of drug targets both at the preclinical and clinical level are required. Non-invasive imaging and in particular molecular imaging methods are becoming essential technologies to support drug discovery and dvelopment. Imaging provides structural, functional, metabolic and molecular readouts that are being applied to characterize a disease phenotype (diagnosis), to elucidate molecular mechanisms involved, to evaluate drug efficacy and safety, and to identify potential biomarkers of the drug's mechanism-of-action, efficacy and safety. Non-invasive imaging techniques constitute a bridge between preclinical and clinical drug evaluation. In this monograph the contribution of imaging modalities to the various stages of drug discovery and development, from early target validation to their use in clinical development programs, is described. Chapters are devoted to the description of the drug discovery process as such, to the various imaging modalities being used both preclinically and clinically, to applications of imaging during the optimization of a lead compound (addressing issues such as bioavailability and efficacy) and during the drug safety evaluation.

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Frontiers in Anti-Infective Drug Discovery ; Vol.9

Covers a range of topics including rational drug design and drug discovery, medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, recent important patents, and structure-activity relationships. Frontiers in Anti-Infective Drug Discovery is a valuable resource for pharmaceutical scientists and post-graduate students seeking updated and critically important information for developing clinical trials and devising research plans in this field. The ninth volume of this series features 5 reviews that cover some aspects of clinical and pre-clinical antimicrobial drug development, with 2 chapters focusing on drugs to treat leishmaniasis and dengue fever, respectively. - Use of preclinical and early clinical data for accelerating antimicrobial drug development - Post-translational modifications: host defence mechanism, pathogenic weapon, and emerged target of anti-infective drugs - Scope and limitations on the potent antimicrobial activities of hydrazone derivatives - Current scenario of anti-leishmanial drugs and treatment - Dengue hemorrhagic fever: the potential repurposing drugs

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Encyclopedia of Molecular Pharmacology

Covers all aspects of pharmacology, from the chemistry of drugs and the biochemistry of drug targets to the clinical application of drugs, with emphasis on molecular mechanisms. It also includes techniques for describing the effects of drugs and characterizing drug targets. With over 2,000 entries and 350 detailed essays by leading experts, this book is also an up-to-date and important reference for scientists in fields outside pharmacology, students, health care workers, teachers, physicians, and laypersons.

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Drugs Affecting Growth of Tumours

During recent years the field of effective anticancer agents has substantially increased. The use of chemotherapy has been accepted as a standard therapy for an expanding number of tumour types and stages, while many new agents are being investigated when standard therapy is lacking or failing. Apart from new targets for anticancer agents, attention is also focused on improving efficacy and tolerability of existing compounds. This topical volume provides an up-to-date overview of clinically relevant data on anticancer agents, and is not only intended for those working as a medical doctor with cancer patients, but also for medical researchers and students. The different classes of anticancer drugs are described by international authorities on the various topics.

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Drug transporters : Molecular characterization and role in drug disposition

Drug Transporters: Molecular Characterization and Role in Drug Disposition provides in-depth analysis of the conceptual evolution and technical development for studying drug transporters. Contributions by an international panel of leading researchers address advances in transporters as drug targets, transporters in pharmacotherapy, the impact of transporters on drug efficacy and safety, the development of sophisticated model systems and sensitive assay methods, and more. Divided into two parts, the book first provides a thorough overview of relevant drug transporters before detailing the principles of drug transport and associated techniques.

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Drug Targets in Kinetoplastid Parasites

The book contains 12 chapters contributed by eminent scientists working in this field. The articles deal mainly with two aspects: visual identification of targets and identification of therapeutic agents.Several targets like kDNA replication machinery, purine salvage pathway, purine and pyrimidine biosynthetic pathway, histone deacetylase, DNA topoisomerases, membrane transporter proteins, glycoproteins and glycolipids are discussed in this book. Since current treatments for kinetoplastid parasitic diseases are far from ideal, there is an urgent and genuine need to develop newer compounds as antiparasitic drug candidates. Therefore evelopment of some lead compounds against these parasites as well as drug resistance are also included in this book. Moreover the vast amount of information generated after publication of the "Trytrip" genome sequence now makes possible several new approaches for target identification and discovery of therapeutic agents. This book is an outcome of the contributions of many scientists working in this important area.

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Chemokine biology : Basic research and clinical application ; Vol.2 : Pathophysiology of chemokines

Chemokines play an important role in recruiting inflammatory cells into tissues in response to infection and inflammation. They also play an important role in coordinating the movement of T-cells, B-cells and dentritic cells, necessary to generate an immune response (response to injury, allergens, antigens, invading microorganisms). They selectively attract leukocytes to inflammatory foci, inducing both cell migration and activation. They are involved in various diseases, like atherosclerosis, lung and skin inflammation, multiple sclerosis, or HIV. Volume 2 of this two-volume set discusses the pathophysiology of chemokines. It is divided into two parts: a) chemokines in animal disease models, and b) chemokines as drug targets. Together with volume 1, which discusses the immunobiology of chemokines, both volumes give a comprehensive overview of chemokine biology.

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Chemogenomics : Methods and protocols

Presents both theoretical guidance and protocols on chemogenomics including chemogenomics library assembly, compound profiling, and phenotypic assays. The chapters in this book cover topics such as the assembly and use of Kinase Chemogenomics; data mining for chemogenomic compound candidates; protocols for protein family-focused assay systems to profile chemogenomic compounds; functional and target engagement assays in cellular settings for broad characterization; and a discussion on phenotypic assays where chemogenomic sets may be applied.

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Biomarkers for alzheimer’s disease drug development

Helping to accelerate Alzheimer’s disease drug development. Addressing the latest advances in preclinical and clinical research, including new insights into the molecular mechanisms and emerging therapeutic strategies, the book continues by exploring digital biomarkers and advanced neuroimaging analysis which will transform how clinical trials in the Alzheimer’s disease field are performed.

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Biocombinatorial approaches for drug finding

Genome- and proteome-based research is generating a significant increase in the number of available drug targets. Correspondingly there is an increasing need for novel, diverse compounds, particularly based on natural compounds, as screening resource

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Bacterial signal transduction : Networks and drug targets

Interactions among different TCSs enable one system to respond to multiple signals, which is important for bacteria to minutely adjust themselves to complex environmental changes. Such interactions are found or predicted in various bacteria in this book. Over the past decade, a vast amount of exciting new information on the signal transduction pathway in bacteria has been brought to light. Reports on these develop› ments have been put together in this book, Bacterial Signal Transduction: Networks andDrug Targets. This book Offers an incentive for graduate students, academic scientists, and researchers in the pharmaceutical industry to further elucidate the TCS networks and apply them in the search for novel drugs.

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Anxiety and Anxiolytic Drugs

The present volume gives a comprehensive overview on the current state of basic and clinical research on Anxiety and Anxiolytic Drugs. Using newly developed methods and techniques researchers are now beginning to understand the molecular mechanisms of anxiety, anxiety disorders and their treatment. In parallel, new drug targets have been generated and the first clinical studies with new compounds have been started. In 20 chapters written by numerous experts in the field comprehensive information on all relevant topics is provided.

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