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Ligand Efficiency Indices For Drug Discovery

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Ligand Efficiency Indices for Drug Discovery

Ligand Efficiency Indices for Drug Discovery Book
Author : Celerino Abad-Zapatero
Publisher : Academic Press
Release : 2013-01-22
ISBN : 0124046827
Language : En, Es, Fr & De

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Book Description :

The purpose of Ligand Efficiency Indices for Drug Discovery: Towards an Atlas-Guided Paradigm is to introduce in a concise and self-contained form the concepts, ideas, applications and examples of efficiency-driven drug discovery to the biomedical community at large. The book emphasizes the use of 'new variables' and more objective numerical methods to drive drug discovery in an encompassing way. These 'new variables' are based on Ligand Efficiency Indices (LEIs) formulated in a way that permits mapping Chemico-Biological Space (CBS) in an Atlas-like representation. It provides a practical and timely discussion of the concepts, ideas, applications and examples of efficiency-driven drug discovery. This book emphasizes the use of a graphical representation and objective numerical methods to drive drug discovery more effectively. It presents the definition of LEIs and the corresponding efficiency planes within an atlas-like environment to provide a robust graphical and numerical framework for medicinal chemists and drug-discoverers. Provides a practical and timely discussion of the concepts, ideas, applications and examples of efficiency-driven drug discovery Emphasizes the use of ‘new variables’ and more objective numerical methods to drive quicker and more effective drug discovery Presents the definition of Ligand Efficiency Indices (LEIs) and the corresponding efficiency planes as key concepts to provide a graphical and numerical framework

Drug Discovery Targeted to Transthyretin Related Amyloidosis

Drug Discovery Targeted to Transthyretin Related Amyloidosis Book
Author : Daniel Blasi Pérez,Fernando Albericio Palomera,Universitat de Barcelona. Departament de Química Orgànica
Publisher : Unknown
Release : 2012
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Several drug discovery approaches has been performed to find new compounds able to interact with high affinity with the hormone binding site of the homotetrameric protein transthyretin (TTR), and stabilize this tetramer, becoming drug candidates to treat several rare amyloid diseases associated with TTR. With this aim, several computational workflows and chemico-biological databases have been developed, and in collaboration with two experimental research laboratories of our TTR Consortium (one contributing with the chemical synthesis or acquisition of the designed compounds, and the other contributing with the biological activity assay results for the synthesized or acquired compounds). The specific objectives of this thesis are: a) The generation of a chemico-biological database containing the historical and newly generated results of the TTR Consortium, containing the chemical structures and biological activities of the TTR ligands. b) Explore the possibility of using repurposing techniques applied to the discovery of new TTR inhibitors among the existing drugs, with particular focus on anti-inflammatory drugs, which are known to be good TTR ligands. c) Design of new flavonoid compounds as TTR ligands by means of structure-based drug design. d) Incorporate the Ligand Efficiency Indices analysis (both retrospective and prospective) as a new tool for designing new compounds with increased efficiency as TTR ligands. e) The computational development of a combined predictive/experimental workflow for the analysis of the metabolic stability of TTR ligands, as a tool for improving the prioritized compounds in our in-house database to obtain new compounds with better metabolic and pharmacokinetic properties. Among this thesis those workflows have been developed in order to obtain possible new amyloidogenic inhibitors: a) A computational workflow to obtain TTR ligand fingerprints has been developed, and the application of this workflow to the repurposing of marketed antiinflammatory drugs has delivered 3 compounds as new TTR stabilizers. b) A computational workflow to obtain a TTR-protein structure based pharmacophore has been developed, and the application of this workflow to a database of flavonoid compounds has delivered one compound as a new TTR stabilizer.

Modern Approaches in Drug Discovery

Modern Approaches in Drug Discovery Book
Author : Anonim
Publisher : Academic Press
Release : 2018-10-31
ISBN : 0128153849
Language : En, Es, Fr & De

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Book Description :

Modern Approaches in Drug Discovery, Volume 611, the latest release in the Methods in Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Target Identification and Validation, Cell Painting/High Content Imaging, Target ID using chemical probes, Mining the microbiome for targets, Data driven approaches for diversity and drug-likeness, Affinity-based screening, Fragment screening (X-ray), Array-based approaches, Hit-to-lead: assessment and improvement of drug-like properties, Hit assessment and prioritization, Lead Optimization: fine tuning and risk mitigation, and more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Methods in Enzymology series Updated release includes the latest information on the Intrinsically Disordered Proteins

Mini Reviews in Medicinal Chemistry

Mini Reviews in Medicinal Chemistry Book
Author : Anonim
Publisher : Unknown
Release : 2009
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Mini Reviews in Medicinal Chemistry book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Molecular Drug Properties

Molecular Drug Properties Book
Author : Raimund Mannhold
Publisher : John Wiley & Sons
Release : 2008-06-25
ISBN : 3527621296
Language : En, Es, Fr & De

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Book Description :

This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.

Australian Journal of Chemistry

Australian Journal of Chemistry Book
Author : Anonim
Publisher : Unknown
Release : 2003
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Comprehensive Medicinal Chemistry II Drug discovery technologies

Comprehensive Medicinal Chemistry II  Drug discovery technologies Book
Author : Anonim
Publisher : Unknown
Release : 2007
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards

Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards Book
Author : Anonim
Publisher : Unknown
Release : 2007
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Medicinal Chemistry and Drug Discovery Chemotherapeutic agents

Medicinal Chemistry and Drug Discovery  Chemotherapeutic agents Book
Author : Alfred Burger
Publisher : Unknown
Release : 2003
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Medicinal Chemistry and Drug Discovery Chemotherapeutic agents book written by Alfred Burger, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Energy Research Abstracts

Energy Research Abstracts Book
Author : Anonim
Publisher : Unknown
Release : 1986
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Comprehensive Medicinal Chemistry II Vol 8

Comprehensive Medicinal Chemistry II  Vol 8 Book
Author : John B Taylor,David J Triggle
Publisher : Elsevier Science Limited
Release : 2007
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Presents a different view of medicinal chemistry through personal accounts by eminent scientists describing their lifetime experiences in the field. Also illustrates 14 case studies of successful drug discovery and development. * valuable content available May 2009 as an individual volume * separate volumes will appeal to a wider chemistry, biochemistry and medicinal audience * priced for individual researcher as well as library purchase

Government Reports Announcements Index

Government Reports Announcements   Index Book
Author : Anonim
Publisher : Unknown
Release : 1985
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Wiley Encyclopedia of Chemical Biology Volume 4

Wiley Encyclopedia of Chemical Biology  Volume 4 Book
Author : Tadhg P. Begley
Publisher : Wiley-Blackwell
Release : 2009-02-03
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

The first major reference at the interface of chemistry, biology, and medicine Chemical biology is a rapidly developing field that uses the principles, tools, and language of chemistry to answer important questions in the life sciences. It has enabled researchers to gather critical information about the molecular biology of the cell and is the fundamental science of drug discovery, playing a key role in the development of novel agents for the prevention, diagnosis, and treatment of disease. Now students and researchers across the range of disciplines that use chemical biology techniques have a single resource that encapsulates what is known in the field. It is an excellent place to begin any chemical biology investigation. Major topics addressed in the encyclopedia include: Applications of chemical biology Biomolecules within the cell Chemical views of biology Chemistry of biological processes and systems Synthetic molecules as tools for chemical biology Technologies and techniques in chemical biology Some 300 articles range from pure basic research to areas that have immediate applications in fields such as drug discovery, sensor technology, and catalysis. Novices in the field can turn to articles that introduce them to the basics, whereas experienced researchers have access to articles exploring the cutting edge of the science. Each article ends with a list of references to facilitate further investigation. With contributions from leading researchers and pioneers in the field, the Wiley Encyclopedia of Chemical Biology builds on Wiley's unparalleled reputation for helping students and researchers understand the crucial role of chemistry and chemical techniques in the life sciences.

CA Reviews Index CARI

CA Reviews Index  CARI   Book
Author : Anonim
Publisher : Unknown
Release : 1982
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Book of Abstracts

Book of Abstracts Book
Author : Anonim
Publisher : Unknown
Release : 2000
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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F S Index Europe Annual

F S Index Europe Annual Book
Author : Anonim
Publisher : Unknown
Release : 1999
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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F S Index United States Annual

F   S Index United States Annual Book
Author : Anonim
Publisher : Unknown
Release : 1999
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Government reports annual index

Government reports annual index Book
Author : Anonim
Publisher : Unknown
Release : 199?
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Government reports annual index book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Toxicology Research Projects Directory

Toxicology Research Projects Directory Book
Author : Anonim
Publisher : Unknown
Release : 1978
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

An indexed directory of current research project abstracts in toxicology and related fields.

Bibliography of Agriculture with Subject Index

Bibliography of Agriculture with Subject Index Book
Author : Anonim
Publisher : Unknown
Release : 2000
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Bibliography of Agriculture with Subject Index book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.