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A practical guide to rational drug design /
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...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam :
Woodhead Publishing, an imprint of Elsevier,
[2016]
|
| Colección: | Woodhead Publishing series in biomedicine ;
no. 81. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 100 | 1 | |a Sun, Hongmao, |e author. | |
| 245 | 1 | 2 | |a A practical guide to rational drug design / |c Sun Hongmao. |
| 264 | 1 | |a Amsterdam : |b Woodhead Publishing, an imprint of Elsevier, |c [2016] | |
| 300 | |a 1 online resource : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a text file | ||
| 490 | 1 | |a Woodhead Publishing series in biomedicine ; |v number 81 | |
| 504 | |a Includes bibliographical references and index. | ||
| 520 | |a 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. | ||
| 546 | |a English. | ||
| 505 | 0 | |a Part One: Structure-Based Ligand Design -- Chapter 1. Structures, Limitations, and Pitfalls -- Chapter 2. Structure-Based Ligand Design I: With Structures of Protein/Lead Compound Complex Available -- Chapter 3. Structure-Based Ligand Design II: With Structure of Protein/Lead Compound Complex Unavailable -- Chapter 4. Homology Modeling and Ligand-Based Molecule Design -- Part Two: QSAR and ADMET Predictions -- Chapter 5. Quantitative Structure-Activity Relationships: Promise, Validations, and Pitfalls -- Chapter 6. Quantitative Structure-Property Relationships Models for Lipophilicity and Aqueous Solubility -- Chapter 7. In Silico ADMET Profiling: Predictive Models for CYP450, P-gp, PAMPA, and hERG. | |
| 650 | 0 | |a Drugs |x Design. | |
| 650 | 0 | |a Ligands. | |
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| 650 | 2 | 2 | |a Pharmacological Phenomena |0 (DNLM)D000069437 |
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| 650 | 6 | |a Ligands. |0 (CaQQLa)201-0027688 | |
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| 650 | 7 | |a Drugs |x Design |2 fast |0 (OCoLC)fst00898790 | |
| 776 | 0 | 8 | |i Print version: |a Hongmao, Sun. |t A Practical Guide to Rational Drug Design. |d : Elsevier Science, �2015 |z 9780081000984 |w (OCoLC)911073383 |
| 830 | 0 | |a Woodhead Publishing series in biomedicine ; |v no. 81. | |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780081000984 |z Texto completo |