TY  - BOOK
AU  - Hongmao,Sun
TI  - A practical guide to rational drug design
T2  - Woodhead Publishing series in biomedicine
U1  - 615.19 22
PY  - 2016///
CY  - Cambridge, Waltham, MA
PB  - Woodhead Publishing / Elsevier
KW  - Drugs
KW  - Design
KW  - BUEsh
KW  - PPhrm
KW  - GGEN
KW  - October2018
KW  - Reading book
N1  - PART I Rational Drug Design 1. Structure of the target is available 2. Structure of the target is unavailable 3. Virtual screening (VS); PART II Chemoinformatics 1. QSAR modeling 2. Processing HTS results 3. Delivering modeling results
N2  - This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to 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 correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes
ER  -