Modelling of GPCRs

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Publisher : Springer Science & Business Media
ISBN 13 : 9400745966
Total Pages : 219 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Modelling of GPCRs by : Andrea Strasser

Download or read book Modelling of GPCRs written by Andrea Strasser and published by Springer Science & Business Media. This book was released on 2012-08-13 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: G protein coupled receptors (GPCRs) comprise an important protein family, which is involved in signal transduction in the cell. Besides that a large number of drugs, available on market, address GPCRs. For an efficient and improved development of appropriate drugs, molecular modelling of GPCRs is – in order to understand the ligand-receptor interactions and functionality of GPCRs on molecular level - an important tool. The book “Modelling of GPCRs – a practical handbook” is focussed onto a practical introduction into molecular modelling of GPCRs. This book is very useful for beginners in GPCR modelling, but also addresses the advanced GPCR modeller: On the one hand, the book introduces principles of GPCR modelling, including extensive examples. On the other hand, detailed outlooks onto advanced GPCR modelling techniques are presented. Furthermore, the book includes important data, like information about crystal structures in a summarized manner or amino acid sequences, which are essential for GPCR modelling in general. Due to an increase in efficacy and data handling most modellers use LINUX as operating system. To address this, a summary of most important LINUX commands with examples is presented within the book.

G Protein-Coupled Receptors - Modeling and Simulation

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 9400774230
Total Pages : 228 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis G Protein-Coupled Receptors - Modeling and Simulation by : Marta Filizola

Download or read book G Protein-Coupled Receptors - Modeling and Simulation written by Marta Filizola and published by Springer Science & Business Media. This book was released on 2013-10-25 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: G protein-coupled receptors (GPCRs) are heptahelical transmembrane receptors that convert extra-cellular stimuli into intra-cellular signaling, and ultimately into biological responses. Since GPCRs are natural targets for approximately 40% of all modern medicines, it is not surprising that they have been the subject of intense research. Notwithstanding the amount of data generated over the years, discovering ligands of these receptors with optimal therapeutic properties is not straightforward and has certainly been hampered for years by the lack of high-resolution structural information about these receptors. Luckily, there has been a steady increase of high-resolution crystal structures of these receptors since 2007, and this information, integrated with dynamic inferences from computational and experimental methods, holds great potential for the discovery of new, improved drugs. This book, which provides, for the first time, state-of-the-art views on modeling and simulation of GPCRs, is divided into 4 parts. In the first part, the impact of currently available GPCR crystal structures on structural modeling is discussed extensively as are critical insights from simulations in the second part of the book. The third part reports recent progress in rational ligand discovery and mathematical modeling, whereas the fourth part provides an overview of bioinformatics tools and resources that are available for GPCRs.

G Protein-Coupled Receptors in Drug Discovery

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Author :
Publisher : Humana Press
ISBN 13 : 9781603273169
Total Pages : 0 pages
Book Rating : 4.2/5 (731 download)

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Book Synopsis G Protein-Coupled Receptors in Drug Discovery by : Wayne R. Leifert

Download or read book G Protein-Coupled Receptors in Drug Discovery written by Wayne R. Leifert and published by Humana Press. This book was released on 2009-06-09 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The G protein-coupled receptors (GPCRs) and associated peripheral G proteins underpin a multitude of physiological processes. The GPCRs represent one of the largest superfamilies in the human genome and are a significant target for bioactive and drug discovery programs. It is estimated that greater than 50% of all drugs, including those in development, currently target GPCRs. Many of the characterized GPCRs have known ligands; however, approximately 20% of GPCRs are described as orphan GPCRs, apparent GPCRs that share the generic high-level structure charact- istic of GPCRs but whose endogenous ligand is not known. Therefore, it is expected that the field of GPCR drug discovery and development will greatly expand in the coming years with emphasis on new generations of drugs against GPCRs with unique therapeuticuseswhichmayincludedrugssuchasallostericregulators,inverseagonists, and identification of orphan GPCR ligands. AswelearnmoreaboutthemolecularsignalingcascadesfollowingGPCRactivation, we acquire a better appreciation of the complexity of cell signaling and as a result, also acquire a vast array ofnew molecularmethods toinvestigate these andother processes. Thegeneralaimofthisbookistoprovideresearcherswitharangeofprotocolsthatmay be useful in their GPCR drug discovery programs. It is also the basis for the devel- ment of future assays in this field. Therefore, the range of topics covered and the appropriate methodological approaches in GPCR drug discovery are reflected in this book. Itisinterestingtonotethatfuturedirectionsindrugdiscoverywillrequireinput and collaboration from a plethora of fields of research. As such, this book will likely be of interest to scientists involved in such fields as molecular biology, pharmacology, biochemistry, cellular signaling, and bio-nanotechnology.

Computational Methods for GPCR Drug Discovery

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Author :
Publisher : Humana Press
ISBN 13 : 9781493984947
Total Pages : 436 pages
Book Rating : 4.9/5 (849 download)

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Book Synopsis Computational Methods for GPCR Drug Discovery by : Alexander Heifetz

Download or read book Computational Methods for GPCR Drug Discovery written by Alexander Heifetz and published by Humana Press. This book was released on 2018-08-30 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics. The chapters in this book describe how these approaches can be applied to address key drug discovery issues, such as receptor structure modelling, function and dynamics, prediction of protein-water-ligand interactions and binding kinetics, free energy of binding, interconversion between agonists and antagonists, deorphanization of GPCRs, and the discovery of biased and allosteric modulators. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modelling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique,Computational Methods for GPCR Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Homology Molecular Modeling

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Author :
Publisher : BoD – Books on Demand
ISBN 13 : 1839628057
Total Pages : 147 pages
Book Rating : 4.8/5 (396 download)

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Book Synopsis Homology Molecular Modeling by : Rafael Trindade Maia

Download or read book Homology Molecular Modeling written by Rafael Trindade Maia and published by BoD – Books on Demand. This book was released on 2021-03-10 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: Homology modeling is an extremely useful and versatile technique that is gaining more and more space and demand in research in computational and theoretical biology. This book, “Homology Molecular Modeling - Perspectives and Applications”, brings together unpublished chapters on this technique. In this book, 7 chapters are intimately related to the theme of molecular modeling, carefully selected and edited for academic and scientific readers. It is an indispensable read for anyone interested in the areas of bioinformatics and computational biology. Divided into 4 sections, the reader will have a didactic and comprehensive view of the theme, with updated and relevant concepts on the subject. This book was organized from researchers to researchers with the aim of spreading the fascinating area of molecular modeling by homology.

Artificial Neural Networks and Machine Learning – ICANN 2019: Workshop and Special Sessions

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Author :
Publisher : Springer
ISBN 13 : 9783030304928
Total Pages : 0 pages
Book Rating : 4.3/5 (49 download)

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Book Synopsis Artificial Neural Networks and Machine Learning – ICANN 2019: Workshop and Special Sessions by : Igor V. Tetko

Download or read book Artificial Neural Networks and Machine Learning – ICANN 2019: Workshop and Special Sessions written by Igor V. Tetko and published by Springer. This book was released on 2019-09-11 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The proceedings set LNCS 11727, 11728, 11729, 11730, and 11731 constitute the proceedings of the 28th International Conference on Artificial Neural Networks, ICANN 2019, held in Munich, Germany, in September 2019. The total of 277 full papers and 43 short papers presented in these proceedings was carefully reviewed and selected from 494 submissions. They were organized in 5 volumes focusing on theoretical neural computation; deep learning; image processing; text and time series; and workshop and special sessions.

Neuromorphic Olfaction

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Publisher : CRC Press
ISBN 13 : 1439871728
Total Pages : 237 pages
Book Rating : 4.4/5 (398 download)

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Book Synopsis Neuromorphic Olfaction by : Krishna C. Persaud

Download or read book Neuromorphic Olfaction written by Krishna C. Persaud and published by CRC Press. This book was released on 2016-04-19 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many advances have been made in the last decade in the understanding of the computational principles underlying olfactory system functioning. Neuromorphic Olfaction is a collaboration among European researchers who, through NEUROCHEM (Fp7-Grant Agreement Number 216916)-a challenging and innovative European-funded project-introduce novel computing p

Structural Biology in Drug Discovery

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Publisher : John Wiley & Sons
ISBN 13 : 1118900502
Total Pages : 1367 pages
Book Rating : 4.1/5 (189 download)

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Book Synopsis Structural Biology in Drug Discovery by : Jean-Paul Renaud

Download or read book Structural Biology in Drug Discovery written by Jean-Paul Renaud and published by John Wiley & Sons. This book was released on 2020-01-09 with total page 1367 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Receptor Molecular Biology

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Publisher : Elsevier
ISBN 13 : 9780080536446
Total Pages : 519 pages
Book Rating : 4.5/5 (364 download)

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Book Synopsis Receptor Molecular Biology by :

Download or read book Receptor Molecular Biology written by and published by Elsevier. This book was released on 1995-03-22 with total page 519 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volumes in this series include contemporary techniques significant to a particular branch of neuroscience. They are an invaluable aid to the student as well as the experienced researcher not only in developing protocols in neuroscience but in disciplines where research is becoming closely related to neuroscience. Each volume of Methods in Neurosciences contains an index, and each chapter includes references. Dr. Conn became Editor-in-Chief of the series beginning with Volume 15, so each subsequent volume could be guest-edited by an expert in that specific field. This further strengthens the depth of coverage in Methods in Neurosciences for students and researchers alike. Cloning Expression systems Signal transduction Structure-function techniques Antireceptor antibodies Regulation 3-D receptor modeling and computational probing

Allosteric Modulation of G Protein-Coupled Receptors

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Author :
Publisher : Academic Press
ISBN 13 : 0128197722
Total Pages : 214 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Allosteric Modulation of G Protein-Coupled Receptors by : Robert Laprairie

Download or read book Allosteric Modulation of G Protein-Coupled Receptors written by Robert Laprairie and published by Academic Press. This book was released on 2022-02-05 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Allosteric Modulation of G Protein-Coupled Receptors reviews fundamental information on G protein-coupled receptors (GPCRs) and allosteric modulation, presenting original research in the area and collectively providing a comprehensive description of key issues in GPCR allosteric modulation. The book provides background on core concepts of molecular pharmacology while also introducing the most important advances and studies in the area. It also discusses key methodologies. This is an essential book for researchers and advanced students engaged in pharmacology, toxicology and pharmaceutical sciences training and research. Many of the GPCR-targeted drugs released in the past decade have specifically worked via allosteric mechanisms. Unlike direct orthosteric-acting compounds that occupy a similar receptor site to that of endogenous ligands, allosteric modulators alter GPCR-dependent signaling at a site apart from the endogenous ligand. Recent methodological and analytical advances have greatly improved our ability to understand the signaling mechanisms of GPCRs. We now know that allostery is a common regulatory mechanism for all GPCRs and not – as we once believed – unique to a few receptor subfamilies. Introduces background on core concepts of molecular pharmacology, including statistical analyses, non-linear regression, complex models and GPCR-dependent signal transduction as they relate to allosteric modulation Discusses critical advances and landmark studies, including discoveries in the area of GPCR allosteric modulation, which are reviewed for their importance in positive and negative regulation, protein-protein interactions, and small molecule drug discovery Includes key methodologies used to study allosteric modulation at the in silico, in vitro, and in vivo levels of drug discovery and characterization

G Protein Coupled Receptors

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Publisher : Academic Press
ISBN 13 : 012407944X
Total Pages : 541 pages
Book Rating : 4.1/5 (24 download)

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Book Synopsis G Protein Coupled Receptors by :

Download or read book G Protein Coupled Receptors written by and published by Academic Press. This book was released on 2013-01-28 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new volume of Methods in Enzymology continues the legacy of this premier serial with quality chapters authored by leaders in the field. This volume covers G protein coupled receptors, and includes chapters on such topics as GPCR modelling, interactions with other molecules, virtual screening and GPCR activation. Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers G protein coupled receptors Contains chapters on such topics as GPCR modelling, interactions with other molecules, virtual screening and GPCR activation

G-Protein-Coupled Receptor Dimers

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Publisher : Humana Press
ISBN 13 : 9783319601724
Total Pages : 501 pages
Book Rating : 4.6/5 (17 download)

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Book Synopsis G-Protein-Coupled Receptor Dimers by : Katharine Herrick-Davis

Download or read book G-Protein-Coupled Receptor Dimers written by Katharine Herrick-Davis and published by Humana Press. This book was released on 2017-09-12 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: G-protein-coupled receptors (GPCRs) are believed to be the largest family of membrane proteins involved in signal transduction and cellular responses. They dimerize (form a pair of macromolecules) with a wide variety of other receptors. The proposed book will provide a comprehensive overview of GPCR dimers, starting with a historical perspective and including, basic information about the different dimers, how they synthesize, their signaling properties, and the many diverse physiological processes in which they are involved. In addition to presenting information about healthy GPCR dimer activity, the book will also include a section on their pathology and therapeutic potentials.

GPCRs: From Deorphanization to Lead Structure Identification

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Publisher : Springer Science & Business Media
ISBN 13 : 3540489827
Total Pages : 275 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis GPCRs: From Deorphanization to Lead Structure Identification by : H. Bourne

Download or read book GPCRs: From Deorphanization to Lead Structure Identification written by H. Bourne and published by Springer Science & Business Media. This book was released on 2007-05-23 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an insight into the approaches taken by industry and academia to address GPCRs and depict how mature this target class-oriented research has become in the last decade. Coverage also reflects the actual trends in the fast-emerging field of GPCR research in academia and industry. It is based on the international workshop GPCRs: From Deorphanisation to Lead Structure Identification, held in Berlin in May 2006.

G Protein-Coupled Receptors as Drug Targets

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 3527606955
Total Pages : 304 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis G Protein-Coupled Receptors as Drug Targets by : Roland Seifert

Download or read book G Protein-Coupled Receptors as Drug Targets written by Roland Seifert and published by John Wiley & Sons. This book was released on 2006-05-12 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: With its particular emphasis on the constitutive activity of G-protein-coupled receptors (GPCRs)s, this book comprehensively discusses an important biological process that has not yet been covered in such depth in any other existing books on GPCRs. The international team of highly distinguished authors addresses in detail current models and concepts, to introduce medicinal chemists, physiologists, pharmacologists, and medical researchers into the advances in the understanding of GPCR activation and constitutive activity. In addition, the book provides an overview on methods of investigating constitutive GPCR activity. The text is well illustrated by selected experimental data and schemes._The chaptes are all cross-referenced with each other and cover general mechnisms, methodological approaches and cover selected important GPCR sysstems, the consequences for drug action, including, side effects, and rational drug design for GPCR targets. A highly recommended reference for researchers in academia and industry. authors addresses in detail current models and concepts, so as to introduce pharmaceutical chemists, physiologists and medical researchers to the advances in the understanding of GPCR activation and constitutive activity, and provides an overview of the methods of investigating GPCR activity. The text is backed by abundant case studies and methodological advice for analyzing GPCRs, covering selected pharmacologically relevant GPCR systems, the consequences for drug action, including unwanted side effects, and rational drug design for GPCR targets. A highly practical reference for researchers in academia and industry.

G Protein-Coupled Receptors

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Author :
Publisher : Royal Society of Chemistry
ISBN 13 : 1849733449
Total Pages : 548 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis G Protein-Coupled Receptors by : Jesus Giraldo

Download or read book G Protein-Coupled Receptors written by Jesus Giraldo and published by Royal Society of Chemistry. This book was released on 2011-08-16 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: G protein-coupled receptors (GPCRs) are the largest family of cell-surface receptors, with more than 800 members identified thus far in the human genome. They regulate the function of most cells in the body, and represent approximately 3% of the genes in the human genome. These receptors respond to a wide variety of structurally diverse ligands, ranging from small molecules, such as biogenic amines, nucleotides and ions, to lipids, peptides, proteins, and even light. Ligands (agonists and antagonists) acting on GPCRs are important in the treatment of numerous diseases, including cardiovascular and mental disorders, retinal degeneration, cancer, and AIDS. It is estimated that these receptors represent about one third of the actual identified targets of clinically used drugs. The determination of rhodopsin crystal structure and, more recently, of opsin, 1 and 2 adrenergic and A2A adenosine receptors provides both academia and industry with extremely valuable data for a better understanding of the molecular determinants of receptor function and a more reliable rationale for drug design. GPCR structure and function constitutes a hot topic. The book, which lies between the fields of chemical biology, molecular pharmacology and medicinal chemistry, is divided into three parts. The first part considers what receptor structures tell us about the mechanism of receptor activation. Part II focuses on receptor function. It discusses what the data from biophysical and mutational studies, and the analysis of the interactions of the receptor with ligands and regulator proteins, tell us about the process of signal transduction. The final part, on modelling and simulation, details new insights on the link between structure and mechanism and their implications in drug design.

Serotonin Receptors in Neurobiology

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Author :
Publisher : CRC Press
ISBN 13 : 1420005758
Total Pages : 230 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Serotonin Receptors in Neurobiology by : Amitabha Chattopadhyay

Download or read book Serotonin Receptors in Neurobiology written by Amitabha Chattopadhyay and published by CRC Press. This book was released on 2007-05-17 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: A number of developments spanning a multitude of techniques makes this an exciting time for research in serotonin receptors. A comprehensive review of the subject from a multidisciplinary perspective, Serotonin Receptors in Neurobiology is among the first books to include information on serotonin receptor knockout studies. With contributions from l

Receptor-Receptor Interactions

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Publisher : Springer Science & Business Media
ISBN 13 : 1468454153
Total Pages : 577 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Receptor-Receptor Interactions by : Kjell Fuxe

Download or read book Receptor-Receptor Interactions written by Kjell Fuxe and published by Springer Science & Business Media. This book was released on 2013-03-13 with total page 577 pages. Available in PDF, EPUB and Kindle. Book excerpt: