A practical guide to rational drug design

• Main Author: Sun, Hongmao (Author)
• Format: Electronic eBook
• Language: English
• Published: Amsterdam : Woodhead Publishing, an imprint of Elsevier, [2016]
• Series: Woodhead Publishing series in biomedicine ; no. 81.
• Subjects: Drugs > Design.; Ligands.; elektronické knihy; electronic books
• ISBN: 9780081001059; 0081001053; 9780081000984; 0081000987
• Physical Description: 1 online resource : illustrations
• Access: Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty

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.