Ligand Efficiency Indices for Drug Discovery

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Read or download book entitled Ligand Efficiency Indices for Drug Discovery written by Celerino Abad-Zapatero and published by Academic Press in PDF, EPUB and Kindle Format. Click Get This Book button to download or read online books. Join over 650.000 happy Readers and READ as many books as you like. We cannot guarantee that Ligand Efficiency Indices for Drug Discovery book is available in the library.

  • Publisher : Academic Press
  • Release : 22 January 2013
  • ISBN : 9780124046825
  • Page : 178 pages
  • Rating : 4.5/5 from 103 voters

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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

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Ligand Efficiency Indices for Drug Discovery

Ligand Efficiency Indices for Drug Discovery
  • Author : Celerino Abad-Zapatero
  • Publisher : Academic Press
  • Release Date : 2013-01-22
  • ISBN : 9780124046825
GET THIS BOOKLigand Efficiency Indices for Drug Discovery

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

The Medicinal Chemist's Guide to Solving ADMET Challenges

The Medicinal Chemist's Guide to Solving ADMET Challenges
  • Author : Patrick Schnider
  • Publisher : Royal Society of Chemistry
  • Release Date : 2021-08-20
  • ISBN : 9781839160493
GET THIS BOOKThe Medicinal Chemist's Guide to Solving ADMET Challenges

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

Fragment-based Drug Discovery

Fragment-based Drug Discovery
  • Author : Daniel A. Erlanson,Wolfgang Jahnke
  • Publisher : John Wiley & Sons
  • Release Date : 2016-02-23
  • ISBN : 9783527337750
GET THIS BOOKFragment-based Drug Discovery

From its origins as a niche technique more than 15 years ago, fragment-based approaches have become a major tool for drug and ligand discovery, often yielding results where other methods have failed. Written by the pioneers in the field, this book provides a comprehensive overview of current methods and applications of fragment-based discovery, as well as an outlook on where the field is headed. The first part discusses basic considerations of when to use fragment-based methods, how to select targets, and

Successful Drug Discovery

Successful Drug Discovery
  • Author : János Fischer,David P. Rotella
  • Publisher : John Wiley & Sons
  • Release Date : 2015-01-30
  • ISBN : 9783527678457
GET THIS BOOKSuccessful Drug Discovery

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

Modern Approaches in Drug Discovery

Modern Approaches in Drug Discovery
  • Author : Anonim
  • Publisher : Academic Press
  • Release Date : 2018-10-31
  • ISBN : 9780128153840
GET THIS BOOKModern Approaches in Drug Discovery

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

Fragment-Based Drug Discovery and X-Ray Crystallography

Fragment-Based Drug Discovery and X-Ray Crystallography
  • Author : Thomas G. Davies,Marko Hyvönen
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-01-23
  • ISBN : 9783642275395
GET THIS BOOKFragment-Based Drug Discovery and X-Ray Crystallography

Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W.

Fragment-Based Methods in Drug Discovery

Fragment-Based Methods in Drug Discovery
  • Author : Anthony E. Klon
  • Publisher : Humana Press
  • Release Date : 2015-02-24
  • ISBN : 1493924850
GET THIS BOOKFragment-Based Methods in Drug Discovery

This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which

The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry
  • Author : Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
  • Publisher : Elsevier
  • Release Date : 2015-07-01
  • ISBN : 9780124172135
GET THIS BOOKThe Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry, Fourth Edition provides a practical and comprehensive overview of the daily issues facing pharmaceutical researchers and chemists. In addition to its thorough treatment of basic medicinal chemistry principles, this updated edition has been revised to provide new and expanded coverage of the latest technologies and approaches in drug discovery. With topics like high content screening, scoring, docking, binding free energy calculations, polypharmacology, QSAR, chemical collections and databases, and much more, this book is the go-to

In Silico Drug Discovery and Design

In Silico Drug Discovery and Design
  • Author : Claudio N. Cavasotto
  • Publisher : CRC Press
  • Release Date : 2015-08-06
  • ISBN : 9781482217858
GET THIS BOOKIn Silico Drug Discovery and Design

In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita

Fragment-Based Drug Discovery

Fragment-Based Drug Discovery
  • Author : Steven Howard,Chris Abell
  • Publisher : Royal Society of Chemistry
  • Release Date : 2015-07-03
  • ISBN : 9781849739085
GET THIS BOOKFragment-Based Drug Discovery

Fragment-based drug discovery is a rapidly evolving area of research, which has recently seen new applications in areas such as epigenetics, GPCRs and the identification of novel allosteric binding pockets. The first fragment-derived drug was recently approved for the treatment of melanoma. It is hoped that this approval is just the beginning of the many drugs yet to be discovered using this fascinating technique. This book is written from a Chemist's perspective and comprehensively assesses the impact of fragment-based drug

Progress in Medicinal Chemistry

Progress in Medicinal Chemistry
  • Author : Anonim
  • Publisher : Elsevier
  • Release Date : 2009-11-15
  • ISBN : 0080950868
GET THIS BOOKProgress in Medicinal Chemistry

Progress in Medicinal Chemistry provides a review of eclectic developments in medicinal chemistry. This volume continues in the serial's tradition of providing an insight into the skills required of the modern medicinal chemist; in particular, the use of an appropriate selection of the wide range of tools now available to solve key scientific problems. *Presents the latest research in the field of drug discovery *Publishes on a twice yearly basis to bring you the most innovative updates in medicinal chemistry *

Real World Drug Discovery

Real World Drug Discovery
  • Author : Robert M. Rydzewski
  • Publisher : Elsevier
  • Release Date : 2010-07-07
  • ISBN : 0080914888
GET THIS BOOKReal World Drug Discovery

Drug discovery increasingly requires a common understanding by researchers of the many and diverse factors that go into the making of new medicines. The scientist entering the field will immediately face important issues for which his education may not have prepared him: project teams, patent law, consultants, target product profiles, industry trends, Gantt charts, target validation, pharmacokinetics, proteomics, phenotype assays, biomarkers, and many other unfamiliar topics for which a basic understanding must somehow be obtained. Even the more experienced scientist

Fragment-Based Drug Discovery

Fragment-Based Drug Discovery
  • Author : Edward R. Zartler,Michael Shapiro
  • Publisher : John Wiley & Sons
  • Release Date : 2008-11-20
  • ISBN : 9780470721568
GET THIS BOOKFragment-Based Drug Discovery

Fragment-based drug discovery (FBDD) is a new paradigm in drug discovery that utilizes very small molecules - fragments of larger molecules. It is a faster, cheaper, smarter way to do drug discovery, as shown by the number of pharmaceutical companies that have embraced this approach and the biotechnology companies who use fragments as their sole source of drug discovery. Fragment-Based Drug Discovery: A Practical Approach is a guide to the techniques and practice of using fragments in drug screening. The

Lead Generation Approaches in Drug Discovery

Lead Generation Approaches in Drug Discovery
  • Author : Zoran Rankovic,Richard Morphy
  • Publisher : John Wiley & Sons
  • Release Date : 2010-04-07
  • ISBN : 0470584165
GET THIS BOOKLead Generation Approaches in Drug Discovery

An integrated overview of modern approaches to lead discovery Lead generation is increasingly seen as a distinct and success-determining phase of the drug discovery process. Over recent years, there have been major advances in the understanding of what constitutes a good lead compound and how to improve the chances of finding such a compound. Written by leading scientists and established opinion leaders from industry and academia, this book provides an authoritative overview of the field, as well as the theory,

Structure-activity Relationship Studies in Drug Development by NMR Spectroscopy

Structure-activity Relationship Studies in Drug Development by NMR Spectroscopy
  • Author : Atta-ur- Rahman,M. Iqbal Choudhary
  • Publisher : Bentham Science Publishers
  • Release Date : 2011
  • ISBN : 9781608051649
GET THIS BOOKStructure-activity Relationship Studies in Drug Development by NMR Spectroscopy

"NMR (Nuclear Magnetic Resonance) Spectroscopy has found significant applications in drug discovery based on its capacity to map molecular interactions at the atomic level. Chemical shifts, cross relaxation, and exchange of protons are among the NMR parame"