Description
This book isn’t going to be an exhaustive survey covering all aspects of rational drug design. Instead, it’ll provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors’ active compounds or from natural ligands of the targets; how to springboard from competitors’ SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by accurately examining the PPI interface; how to circumvent IP blockage the use of data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by that specialize in data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design makes a speciality of computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes.
- Discusses quite a lot of tactics applicable to day-to-day drug design
- Readers can download the materials used in the book, including structures, scripts, raw data, protocols, and codes, making this book suitable resource for short courses or workshops
- Offers a unique viewpoint on drug discovery research as a result of the creator’s cross-discipline education background
- Explores the creator’s rich experiences in both pharmaceutical and academic settings