Ligand 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 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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  • Author : Celerino Abad-Zapatero
  • Publisher : Academic Press
  • Pages : 178 pages
  • ISBN : 0124046827
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKLigand Efficiency Indices for Drug Discovery

Ligand Efficiency Indices for Drug Discovery

Ligand Efficiency Indices for Drug Discovery
  • Author : Celerino Abad-Zapatero
  • Publisher : Academic Press
  • Release : 22 January 2013
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

Fragment-based Drug Discovery

Fragment-based Drug Discovery
  • Author : Daniel A. Erlanson,Wolfgang Jahnke,Raimund Mannhold,Hugo Kubinyi,Gerd Folkers
  • Publisher : John Wiley & Sons
  • Release : 23 February 2016
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

Fragment-Based Drug Discovery

Fragment-Based Drug Discovery
  • Author : Steven Howard,Chris Abell
  • Publisher : Royal Society of Chemistry
  • Release : 03 July 2015
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

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 : 20 August 2021
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

Successful Drug Discovery

Successful Drug Discovery
  • Author : János Fischer,David P. Rotella
  • Publisher : John Wiley & Sons
  • Release : 30 January 2015
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

Fragment-Based Methods in Drug Discovery

Fragment-Based Methods in Drug Discovery
  • Author : Anthony E. Klon
  • Publisher : Humana Press
  • Release : 24 February 2015
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

Fragment-based Approaches in Drug Discovery

Fragment-based Approaches in Drug Discovery
  • Author : Wolfgang Jahnke,Daniel A. Erlanson
  • Publisher : John Wiley & Sons
  • Release : 13 December 2006
GET THIS BOOKFragment-based Approaches in Drug Discovery

This first systematic summary of the impact of fragment-based approaches on the drug development process provides essential information that was previously unavailable. Adopting a practice-oriented approach, this represents a book by professionals for professionals, tailor-made for drug developers in the pharma and biotech sector who need to keep up-to-date on the latest technologies and strategies in pharmaceutical ligand design. The book is clearly divided into three sections on ligand design, spectroscopic techniques, and screening and drug discovery, backed by numerous

The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry
  • Author : Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
  • Publisher : Elsevier
  • Release : 01 July 2015
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

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 : 23 January 2012
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.

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences
  • Author : Navneet Sharma,Himanshu Ojha,Pawan Raghav,Ramesh K. Goyal
  • Publisher : Academic Press
  • Release : 21 May 2021
GET THIS BOOKChemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce

Drug Repurposing

Drug Repurposing
  • Author : Farid A. Badria
  • Publisher : BoD – Books on Demand
  • Release : 02 December 2020
GET THIS BOOKDrug Repurposing

Drug repurposing or drug repositioning is a new approach to presenting new indications for common commercial and clinically approved existing drugs. For example, chloroquine, an old antimalarial drug, showed promising results for treating COVID-19, interfering with MDR in several types of cancer, and chemosensitizing human leukemic cells.This book focuses on the hypothesis, risk/benefits, and economic impacts of drug repurposing on drug discovery in dermatology, infectious diseases, neurological disorders, cancer, and orphan diseases. It brings together up-to-date research to

In Silico Drug Discovery and Design

In Silico Drug Discovery and Design
  • Author : Claudio N. Cavasotto
  • Publisher : CRC Press
  • Release : 06 August 2015
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

Small Molecule Medicinal Chemistry

Small Molecule Medicinal Chemistry
  • Author : Werngard Czechtizky,Peter Hamley
  • Publisher : John Wiley & Sons
  • Release : 21 September 2015
GET THIS BOOKSmall Molecule Medicinal Chemistry

Stressing strategic and technological solutions to medicinal chemistry challenges, this book presents methods and practices for optimizing the chemical aspects of drug discovery. Chapters discuss benefits, challenges, case studies, and industry perspectives for improving drug discovery programs with respect to quality and costs. • Focuses on small molecules and their critical role in medicinal chemistry, reviewing chemical and economic advantages, challenges, and trends in the field from industry perspectives • Discusses novel approaches and key topics, like screening collection enhancement, risk sharing,

Virtual Screening for Chemists

Virtual Screening for Chemists
  • Author : Ishika Saha,Patrick G. Harran
  • Publisher : American Chemical Society
  • Release : 30 July 2021
GET THIS BOOKVirtual Screening for Chemists

Virtual Screening for Chemists focuses the discussion on principles underlying the most widely used methods for virtual screening today. References for more technical details have been provided where relevant. The authors have paid special attention to highlighting resources that are readily accessible to the academic community and hope these will facilitate your research aims. Demonstrative workflows have been included at the end of the e-book to allow you to familiarize yourself with the general steps involved in a virtual library