Drug Design - From Structure and Mode-Of-Action to Rational Design Concepts
暫譯: 藥物設計 - 從結構與作用模式到理性設計概念
Klebe, Gerhard
- 出版商: Springer
- 出版日期: 2025-02-05
- 售價: $8,150
- 貴賓價: 9.5 折 $7,743
- 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)
這本以英語撰寫的教科書，基於成功的德文版《Wirkstoffdesign》，將藥物設計的主題帶回研究的前沿。讀者將了解基因工程的新方法以及擴展的結構生物學方法範疇。特別是在過去的十年中，許多複雜的靶標結構，如G蛋白偶聯受體或離子通道，已通過這些方法被闡明。讀者將學習這些長期追尋的複雜結構與經典藥物的樣貌，以及如何實現治療效果。
這本教科書的目標讀者是藥學、化學和生命科學的學生，但也適合轉職者和製藥業研究與開發部門的藥物化學家。在概念上，它與傳統的藥物化學教科書有很大的不同。它專注於新藥物質的開發過程。案例研究的選擇基於教學方面，並試圖提供方法和策略的廣泛概述，同時不忘回顧這一領域的起源。因此，內容涵蓋了藥物研究的歷史、藥物的作用機制、先導結構的搜尋與優化方法、結構確定方法、建模、分子動力學和QSAR方法，以及結構和計算輔助設計。
這本教科書還討論了新方法和概念，如表觀遺傳學、PROTAC方法、CRISPR-Cas9基因剪刀、從序列進行的結構預測、人工智慧的應用以及來自生物物理學的新篩選技術。它展示了在干擾或增強蛋白質-蛋白質相互作用方面的成功，作為藥物治療的一種概念，並討論了在考慮藥物的熱力學和動力學結合特徵下進行藥物優化。
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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 是菲利普斯大學馬爾堡的藥物化學教授。他於2020年4月退休。他的研究專注於結構-活性關係、3D-QSAR 方法、構象和藥效團分析、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分析。在他被任命到馬爾堡之前，他曾在海德堡大學任教，並在巴斯夫（BASF AG）位於路德維希港的主要實驗室從事藥物設計和晶體學的工作。
