Ligand Efficiency Indices for Drug Discovery

• Author : Celerino Abad-Zapatero
• Publisher : Academic Press
• Release : 22 January 2013

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

• Author : Anonim
• Publisher : Academic Press
• Release : 31 October 2018

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

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

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

• Author : Thomas G. Davies,Marko Hyvönen
• Publisher : Springer Science & Business Media
• Release : 23 January 2012

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.

• Author : Claudio N. Cavasotto
• Publisher : CRC Press
• Release : 06 August 2015

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

• Author : Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
• Publisher : Elsevier
• Release : 01 July 2015

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

• Author : Anonim
• Publisher : Elsevier
• Release : 15 November 2009

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 *

• Author : Robert M. Rydzewski
• Publisher : Elsevier
• Release : 07 July 2010

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

• Author : Edward R. Zartler,Michael Shapiro
• Publisher : John Wiley & Sons
• Release : 20 November 2008

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

• Author : Daniel Blasi Pérez,Fernando Albericio Palomera,Universitat de Barcelona. Departament de Química Orgànica
• Publisher : Unknown
• Release : 02 July 2022

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,

• Author : Zoran Rankovic,Richard Morphy
• Publisher : John Wiley & Sons
• Release : 07 April 2010

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,

• Author : Roderick E Hubbard
• Publisher : Royal Society of Chemistry
• Release : 31 October 2007

Structure-based drug discovery is a collection of methods that exploits the ability to determine and analyse the three dimensional structure of biological molecules. These methods have been adopted and enhanced to improve the speed and quality of discovery of new drug candidates. After an introductory overview of the principles and application of structure-based methods in drug discovery, this book then describes the essential features of the various methods. Chapters on X-ray crystallography, NMR spectroscopy, and computational chemistry and molecular modelling

• Author : ConferenceSeries
• Publisher : ConferenceSeries
• Release : 02 July 2022

June 14-15, 2018 Barcelona,Spain Key Topics : Medicinal Chemistry, Pharmaceutical Sciences, Drug Design and Drug Development, CADD (Computer Aided Drug Design), Bioorganic and Medicinal Chemistry, Pharmacology and toxicology, Anticancer agents in Medicinal Chemistry, Analytical Chemistry, Pharmaceutical Industry, Organic Chemistry, Clinical Pharmacology, Evolution of Organic and Medicinal Chemistry in Pharma, Organic and Medicinal Chemistry Technologies for Drug Discovery, QSAR (Quantitative Structure-Activity Relationship) Fragment-Based Drug Design, Applications of Organic and Medicinal Chemistry in Drug Discovery, Market Dynamics, Conclusions and Future Trends, Medicinal Plants,

• Author : Atta-ur- Rahman,M. Iqbal Choudhary
• Publisher : Bentham Science Publishers
• Release : 02 July 2022

"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"

• Author : Jörg Holenz
• Publisher : John Wiley & Sons
• Release : 16 March 2016

In this comprehensive two-volume resource on the topic senior lead generation medicinal chemists present a coherent view of the current methods and strategies in industrial and academic lead generation. This is the first book to combine both standard and innovative approaches in comparable breadth and depth, including several recent successful lead generation case studies published here for the first time. Beginning with a general discussion of the underlying principles and strategies, individual lead generation approaches are described in detail, highlighting