Ligand Efficiency Indices for Drug Discovery: Towards an Atlas-Guided Paradigm

ISBN-13: 9780124046351 / Angielski / Miękka / 2013 / 178 str.

Cele Abad Zapatero

Opis

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

Recenzje

"For those interested in a fresh interpretation of the utility of ligand efficiency indexes for drug discovery, this book serves as a nice introduction to a more modern, graphical approach to drug lead identification." --Doody.com, August 16, 2013

"Abad-Zapatero presents a novel approach to drug discovery that is based on the notion that a change of variables is necessary. The algebraic framework he proposes combines the affinity between ligands and targets with the physico-chemical properties of the ligands to construct a set of novel variables that can map chemico-biological space (CBS) and optimize the drug-discovery process." --Reference and Research Book News, August 2013

Spis treści

IntroductionPART 1: The Elements: Data, Variables, Concept and the ServerPART 2: Conceptual Applications of the AtlasCBS: A New ParadigmPART 3: Exploring CBS: Practical Examples Using the AtlasCBS ServerReferencesEpilogueAppendix I. Appendix II.