Computational Tools For The High Throughput Identification Of Protein Targeted Drugs And Probes
DOWNLOAD
Download Computational Tools For The High Throughput Identification Of Protein Targeted Drugs And Probes PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Computational Tools For The High Throughput Identification Of Protein Targeted Drugs And Probes book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Computational Tools For The High Throughput Identification Of Protein Targeted Drugs And Probes
DOWNLOAD
Author : Rhiannon Lily Kamstra
language : en
Publisher:
Release Date : 2014
Computational Tools For The High Throughput Identification Of Protein Targeted Drugs And Probes written by Rhiannon Lily Kamstra and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014 with Cancer categories.
"This thesis is comprised of three projects that are driven by a common theme, which is the use of computational tools in aiding molecular probe and drug design. In the first project, the feasibility of using molecular docking and scoring to estimate binding affinity for small molecules labelled covalently with fluorophores was tested using several proof-of-concept experiments. The high-throughput nature of computational screening applications such as Hierarchical Virtual Ligand Screening (HierVLS) necessitate that, in order to screen these labelled compounds, there must be an automated way to generate the associated structures virtually from large databases of base compounds and fluorophores. A script was developed in MOE software using scientific vector language (SVL) that could identify key reactive functional groups in both reactive fluorophores and target base compounds, and create the appropriate labelled structures for screening. The final fluorescence-labelled database numbers 14,862 compounds, each tagged with the ATTO680 fluorophore. In a subsequent project, the fluorescence-tagged library was screened against carbonic anhydrase 9 (CAIX), a protein implicated as a biomarker in several cancer types. This screening was accompanied by the screening of a validation set of known CAIX ligands and appropriately chosen decoys.
Toward High Throughput Quantitative Platforms To Identify The Targets Of Small Molecules
DOWNLOAD
Author : Catherine Campbell Henry
language : en
Publisher:
Release Date : 2023
Toward High Throughput Quantitative Platforms To Identify The Targets Of Small Molecules written by Catherine Campbell Henry and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023 with categories.
Target identification is a major challenge in probe and drug discovery. Current binding assays are unable to detect interactions between unoptimized probes and difficult targets, such as transcription factors. Here, we developed generalizable, high-throughput platforms that can rapidly identify the mechanism(s) of action of small molecules emerging from high-throughput screening (HTS) campaigns. Specifically, this project established a solid phase method to rapidly modify small molecules with moieties of interest using isocyanate-based chemistries. This chemical method can be used to quickly generate photoaffinity labeling analogs of small molecules that can be used in a covalent ELISA and mass spectrometry workflow to determine whether small molecules bind to a target of interest and identify off-target binders. Additionally, we created a synergistic critical path for assessing the mechanism of action and on-target activity of small molecules through the generation of an on-target transcriptional profile and application of the L1000 gene-expression platform. Together, these workflows and chemical tools will enable high-throughput studies of small molecule-protein interactions with a wide range of affinities and abundances and facilitate prioritization of small molecules that bind and modulate the function of difficult targets.
High Throughput Screening In Drug Discovery
DOWNLOAD
Author : Jörg Hüser
language : en
Publisher: John Wiley & Sons
Release Date : 2006-12-13
High Throughput Screening In Drug Discovery written by Jörg Hüser and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-12-13 with Science categories.
Backed by leading authorities, this is a professional guide to successful compound screening in pharmaceutical research and chemical biology, including the chemoinformatic tools needed for correct data evaluation. Chapter authors from leading pharmaceutical companies as well as from Harvard University discuss such factors as chemical genetics, binding, cell-based and biochemical assays, the efficient use of compound libraries and data mining using cell-based assay results. For both academics and professionals in the pharma and biotech industries working on small molecule screening.
Target Discovery And Validation
DOWNLOAD
Author : Alleyn T. Plowright
language : en
Publisher: John Wiley & Sons
Release Date : 2020-02-18
Target Discovery And Validation written by Alleyn T. Plowright and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-18 with Medical categories.
The modern drug developers? guide for making informed choices among the diverse target identification methods Target Discovery and Validation: Methods and Strategies for Drug Discovery offers a hands-on review of the modern technologies for drug target identification and validation. With contributions from noted industry and academic experts, the book addresses the most recent chemical, biological, and computational methods. Additionally, the book highlights techologies that are applicable to ?difficult? targets and drugs directed at multiple targets, including chemoproteomics, activity-based protein profiling, pathway mapping, genome-wide association studies, and array-based profiling. Throughout, the authors highlight a range of diverse approaches, and target validation studies reveal how these methods can support academic and drug discovery scientists in their target discovery and validation research. This resource: -Offers a guide to identifying and validating targets, a key enabling technology without which no new drug development is possible -Presents the information needed for choosing the appropriate assay method from the ever-growing range of available options -Provides practical examples from recent drug development projects, e. g. in kinase inhibitor profiling Written for medicinal chemists, pharmaceutical professionals, biochemists, biotechnology professionals, and pharmaceutical chemists, Target Discovery and Validation explores the current methods for the identification and validation of drug targets in one comrpehensive volume. It also includes numerous practical examples.
Frontiers In Computational Chemistry
DOWNLOAD
Author : Zaheer Ul-Haq
language : en
Publisher: Bentham Science Publishers
Release Date : 2017-02-22
Frontiers In Computational Chemistry written by Zaheer Ul-Haq and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-02-22 with Science categories.
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.
Activity Based Protein Profiling
DOWNLOAD
Author : Benjamin F. Cravatt
language : en
Publisher: Springer
Release Date : 2019-01-25
Activity Based Protein Profiling written by Benjamin F. Cravatt and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-25 with Medical categories.
This volume provides a collection of contemporary perspectives on using activity-based protein profiling (ABPP) for biological discoveries in protein science, microbiology, and immunology. A common theme throughout is the special utility of ABPP to interrogate protein function and small-molecule interactions on a global scale in native biological systems. Each chapter showcases distinct advantages of ABPP applied to diverse protein classes and biological systems. As such, the book offers readers valuable insights into the basic principles of ABPP technology and how to apply this approach to biological questions ranging from the study of post-translational modifications to targeting bacterial effectors in host-pathogen interactions.
Cell Based Assays For High Throughput Screening
DOWNLOAD
Author : Paul A. Clemons
language : en
Publisher: Humana Press
Release Date : 2014-11-27
Cell Based Assays For High Throughput Screening written by Paul A. Clemons and has been published by Humana Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-11-27 with Science categories.
As the use of high-throughput screening expands and creates more interest in the academic community, the need for detailed reference materials becomes ever more pressing. Cell-Based Assays for High-Throughput Screening: Methods and Protocols aims to fill an important part of this need by providing an easily accessible reference volume for cell-based phenotypic screening. Leading researchers in the field contribute state-of-the-art methods with actionable protocols covering four major areas of study: model biological systems, screening modalities and assay systems, detection technologies, and approaches to data analysis. Written in the highly successful Methods in Molecular BiologyTM series format, each chapter includes a brief introduction to the subject, lists of necessary materials and reagents, step-by-step laboratory protocols, and a Notes section detailing tips on troubleshooting and avoiding known pitfalls. Cutting-edge and easy-to-use, Cell-Based Assays for High-Throughput Screening: Methods and Protocols presents an overview of relevant approaches, enabling the direct application of existing methods to new discoveries while also inspiring researchers to approach their screening projects in a conceptually modular fashion, enhancing the power to discover through new combinations of existing approaches.
Protein Protein Interaction Networks
DOWNLOAD
Author : Stefan Canzar
language : en
Publisher: Humana
Release Date : 2019-10-04
Protein Protein Interaction Networks written by Stefan Canzar and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-10-04 with Science categories.
This volume explores techniques that study interactions between proteins in different species, and combines them with context-specific data, analysis of omics datasets, and assembles individual interactions into higher-order semantic units, i.e., protein complexes and functional modules. The chapters in this book cover computational methods that solve diverse tasks such as the prediction of functional protein-protein interactions; the alignment-based comparison of interaction networks by SANA; using the RaptorX-ComplexContact webserver to predict inter-protein residue-residue contacts; the docking of alternative confirmations of proteins participating in binary interactions and the visually-guided selection of a docking model using COZOID; the detection of novel functional units by KeyPathwayMiner and how PathClass can use such de novo pathways to classify breast cancer subtypes. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary hardware- and software, step-by-step, readily reproducible computational protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and comprehensive, Protein-Protein Interaction Networks: Methods and Protocols is a valuable resource for both novice and expert researchers who are interested in learning more about this evolving field.
Protein Homeostasis Diseases
DOWNLOAD
Author : Angel L. Pey
language : en
Publisher: Academic Press
Release Date : 2020-02-13
Protein Homeostasis Diseases written by Angel L. Pey and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-13 with Science categories.
Protein Homeostasis Diseases: Mechanisms and Novel Therapies offers an interdisciplinary examination of the fundamental aspects, biochemistry and molecular biology of protein homeostasis disease, including the use of natural and pharmacological small molecules to treat common and rare protein homeostasis disorders. Contributions from international experts discuss the biochemical and genetic components of protein homeostasis disorders, the mechanisms by which genetic variants may cause loss-of-function and gain-of-toxic-function, and how natural ligands can restore protein function and homeostasis in genetic diseases. Applied chapters provide guidance on employing high throughput sequencing and screening methodologies to develop pharmacological chaperones and repurpose approved drugs to treat protein homeostasis disorders. Provides an interdisciplinary examination of protein homeostasis disorders, with an emphasis on treatment strategies employing small natural and pharmacological ligands Offers applied approaches in employing high throughput sequencing and screening to develop pharmacological chaperones to treat protein homeostasis disease Gathers expertise from a range of international chapter authors who work across various biological methods and disease specific disciplines of relevance
Proteinprotein Interaction Regulators
DOWNLOAD
Author : Siddhartha Roy
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-12-14
Proteinprotein Interaction Regulators written by Siddhartha Roy and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-14 with Science categories.
New genomic information has revealed the crucial role that protein–protein interactions (PPIs) play in regulating numerous cellular functions. Aberrant forms of these interactions are common in numerous diseases and thus PPIs have emerged as a vast class of critical drug targets. Despite the importance of PPIs in biology, it has been extremely challenging to convert targets into therapeutics and targeting PPIs had long been considered a very difficult task. However, over the past decade the field has advanced with increasing growth in the number of successful PPI regulators. Protein–Protein Interaction Regulators surveys the latest advances in the structural understanding of PPIs as well as recent developments in modulator discovery.