Structure-based ligand design
著者
書誌事項
Structure-based ligand design
（Methods and principles in medicinal chemistry / edited by R. Mannhold ... [et al.], v. 6）
Wiley-VCH, 1998
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注記
Includes index
内容説明・目次
内容説明
Although emerging only since the 1980s, structure-based drug design has already become a powerful tool for commercial drug design. Much has been learned, however, since the first attempts to develop drugs on the basis of available biochemical and structural data. This volume, besides presenting the underlying principles and foundations of the approach, describes real-life applications. It shows that structure-based drug design, if employed properly and with a thorough knowledge of the pitfalls to avoid, is superior to the traditional approach of designing new drugs and can thus save large amounts of time and money. The presentation and many references to the original literature, as well as numerous colour figures illustrating structural relationships, should make this volume a tool for scientists working in the area of drug design.
目次
- Structural biochemistry
- sources of structural information
- classes of therapeutic targets
- possible approaches to structure-based ligand design
- inhibition of proteases
- inhibition of sialidase
- design methodologies and their applications
- automated receptor-based de novo ligand design
- empirical methods for binding energy prediction.
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