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...
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| Main Author | |
|---|---|
| Format | Electronic eBook |
| Language | English |
| Published |
Amsterdam :
Woodhead Publishing, an imprint of Elsevier,
[2016]
|
| Series | Woodhead Publishing series in biomedicine ;
no. 81. |
| Subjects | |
| Online Access | Full text |
| ISBN | 9780081001059 0081001053 9780081000984 0081000987 |
| Physical Description | 1 online resource : illustrations |
Cover
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| 003 | OCoLC | ||
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| 008 | 151007s2016 ne a ob 001 0 eng d | ||
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| 020 | |a 9780081001059 |q (electronic bk.) | ||
| 020 | |a 0081001053 |q (electronic bk.) | ||
| 020 | |z 9780081000984 | ||
| 020 | |z 0081000987 | ||
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| 100 | 1 | |a Sun, Hongmao, |e author. |1 https://id.oclc.org/worldcat/entity/E39PCjxHrjFB3v4v76wpxYVvxP | |
| 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 | ||
| 490 | 1 | |a Woodhead Publishing series in biomedicine ; |v number 81 | |
| 504 | |a Includes bibliographical references and index. | ||
| 506 | |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty | ||
| 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. | ||
| 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. | |
| 590 | |a Knovel |b Knovel (All titles) | ||
| 650 | 0 | |a Drugs |x Design. | |
| 650 | 0 | |a Ligands. | |
| 655 | 7 | |a elektronické knihy |7 fd186907 |2 czenas | |
| 655 | 9 | |a electronic books |2 eczenas | |
| 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://proxy.k.utb.cz/login?url=https://app.knovel.com/hotlink/toc/id:kpPGRDD002/practical-guide-to?kpromoter=marc |y Full text |