Drug Design - From Structure and Mode-Of-Action to Rational Design Concepts
Klebe, Gerhard
- 出版商: Springer
- 出版日期: 2025-01-20
- 售價: $7,610
- 貴賓價: 9.5 折 $7,230
- 語言: 英文
- 頁數: 870
- 裝訂: Hardcover - also called cloth, retail trade, or trade
- ISBN: 3662689979
- ISBN-13: 9783662689974
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商品描述
This English-language textbook, based on the successful German edition 'Wirkstoffdesign', brings the subject of drug design back to the cutting edge of research. The reader learns about new methods in genetic engineering and the expanded range of structural biological methods. Especially in the last 10 years, many complex target structures such as G-protein coupled receptors or ion channels have been elucidated by using these methods. The reader learns how these long-sought complex structures with classical drugs look like and how the therapeutic effect is achieved.
This textbook is aimed at students of pharmacy, chemistry and the life sciences, but also at career changers and medicinal chemists in research and development departments of the pharmaceutical industry. Conceptually, it is very different from classical textbooks on pharmaceutical chemistry. It focuses on the path to a new drug substance. The selection of case studies is based on didactic aspects and attempts to give a broad overview of methods and strategies without forgetting to look back at the beginnings of this field of work. Thus, the arc spans from the history of drug research, the mechanisms of action of drugs and the methods for lead structure search and optimisation to structure determination methods, modelling, molecular dynamics and QSAR methods to structure- and computer-aided design.
This textbook also discusses new methods and concepts such as epigenetics, the PROTAC approach, CRISPR-Cas9 gene scissors, structural predictions from sequence, the use of artificial intelligence and new screening technologies from biophysics. It presents successes in disrupting or enhancing protein-protein interactions as a concept for drug therapy and discusses optimising drugs considering their thermodynamic as well as kinetic binding profiles .
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商品描述(中文翻譯)
這本以成功的德文版《Wirkstoffdesign》為基礎的英文教科書,將藥物設計的主題帶回到研究的前沿。讀者將了解到基因工程和結構生物學方法的新進展。尤其在過去的10年中,許多複雜的靶標結構,如G蛋白偶聯受體或離子通道,已經通過使用這些方法被闡明。讀者將了解這些長期追尋的複雜結構與傳統藥物的外觀以及治療效果的達成方式。
這本教科書針對藥學、化學和生命科學的學生,以及轉行者和製藥業研發部門的藥物化學家。從概念上講,它與傳統的藥學化學教科書非常不同。它專注於新藥物物質的開發過程。案例研究的選擇基於教學方面的考量,並試圖在不忘記這個工作領域的起點的情況下,提供廣泛的方法和策略概述。因此,這個範圍從藥物研究的歷史,藥物的作用機制,尋找和優化引導結構的方法,到結構確定方法,建模,分子動力學和QSAR方法,以及結構和計算機輔助設計。
這本教科書還討論了表觀遺傳學、PROTAC方法、CRISPR-Cas9基因剪刀、從序列預測結構、人工智能的應用以及生物物理學的新篩選技術等新方法和概念。它以破壞或增強蛋白質相互作用作為藥物治療的概念,並討論了考慮藥物的熱力學和動力學結合特性進行優化的方法。
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作者簡介
Gerhard Klebe is Professor of Pharmaceutical Chemistry at Philipps-Universität Marburg. He retired in April 2020. His research focuses on structure-activity relationships, 3D-QSAR methods, conformational and pharmacophore analyses, docking methods, database analyses, protein crystallography, structure-based drug design and the biophysical characterisation of protein-ligand interactions. Before his appointment in Marburg, he taught at the University of Heidelberg and worked in the main laboratory of BASF AG in Ludwigshafen in the field of drug design and crystallography.
作者簡介(中文翻譯)
Gerhard Klebe是馬爾堡菲利普大學藥學化學教授,於2020年4月退休。他的研究專注於結構活性關係、3D-QSAR方法、構象和藥物譜分析、對接方法、數據庫分析、蛋白質晶體學、基於結構的藥物設計以及蛋白質-配體相互作用的生物物理特性研究。在馬爾堡任職之前,他曾在海德堡大學任教,並在巴斯夫公司的主要實驗室(位於路德維希港)從事藥物設計和晶體學研究。