Making Drugs From Fragments: Starting Simple and Keeping it Simple

Making Drugs from Fragments: Starting Simple and Keeping It Simple is both a practical tool for chemists and an accessible guide for their managers on the best ways to implement and optimize fragment-based drug design in their work. As a method that offers great benefits in terms of economic viability, rapidity of results, and good success rates, fragment-based drug design has quickly been embraced by the drug discovery community. Combining strong coverage of foundational knowledge with expert tips and techniques, this book is designed to provoke new ideas and discussion amongst seasoned professionals, while also helping those in non-scientific roles evaluate the opportunities and benefits of implementing fragment-based design at their organizations. Beginning with an introduction to the rules and metrics of fragment-based lead discovery and how to assess their usefulness, the book then reviews methods for prioritizing targets, designing fragment libraries, and the potential for combining fragment-based methods with high-throughput screening for the benefit of both. In addition, users will find sections on methods for taking simple fragments and optimizing them to simple drug-like candidates and a practical overview of why fragments might not develop and optimize as expected. Finally, the book concludes by asking if processes and accumulated data can be simplified and standardized to increase the efficiency of fragment-based drug discovery. Discusses current methods and common issues associated with implementing and optimizing FBLD, supported by practical examples from industry expertsDraws on the author's experience bridging academia and industry to present the key practical knowledge needed by relative new-comers to the technology in an accessible wayReviews the need for standardization and highlights implementation options INDICE: Introduction: The elegant simplicity of FBLD - starting small and staying small Rules and metrics to guide FBLD: The good the bad and the ugly Prioritizing targets for FBLD Library design with an eye towards making a marketed drug Can HTS and FBLD be friends? Finding fragment hits: seeing the forest and the trees The golden ticket? When fragments create their own binding site Ligand efficiency and fragment growing Fragment growing: Why didn't all my fragments optimize? The structures say they should Parallel processing of fragment hits: making a drug is not just about potency

• ISBN: 978-0-12-809677-2
• Editorial: Elsevier
• Encuadernacion: Rústica
• Páginas: 336
• Fecha Publicación: 01/09/2017
• Nº Volúmenes: 1
• Idioma: Inglés