在药物设计中利用构象驱动因素。

Q1 Pharmacology, Toxicology and Pharmaceutics Progress in medicinal chemistry Pub Date : 2024-01-01 Epub Date: 2024-09-14 DOI:10.1016/bs.pmch.2024.07.001
Praful Chovatia, Angelo Sanzone, Gert-Jan Hofman, Ruth Dooley, Bernardo Pezzati, Iuni Margaret Laura Trist, Gilles Ouvry
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引用次数: 0

摘要

这篇综述文章探讨了构象驱动因素在发现类药物分子中的关键作用,并通过现实生活中的例子说明了它们的重要性。了解分子构象对药物猎取至关重要,因为它能影响药物的靶内和靶外效力、代谢、渗透性和溶解性。每种构象驱动因素或效应因子都在单独的章节中进行了描述和举例说明。最后一节专门介绍核磁共振光谱,并说明其作为构象设计重要工具的实用性。
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Harnessing conformational drivers in drug design.

This review article explores the pivotal role of conformational drivers in the discovery of drug-like molecules and illustrates their significance through real-life examples. Understanding molecular conformation is paramount to drug hunting as it can impact on- and off-target potency, metabolism, permeability, and solubility. Each conformational driver or effector is described and exemplified in a separate section. The final section is dedicated to NMR spectroscopy and illustrates its utility as an essential tool for conformational design.

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来源期刊
Progress in medicinal chemistry
Progress in medicinal chemistry Pharmacology, Toxicology and Pharmaceutics-Pharmacology
CiteScore
15.60
自引率
0.00%
发文量
6
期刊介绍: This series has a long established reputation for excellent coverage of almost every facet of Medicinal Chemistry and is one of the most respected and instructive sources of information on the subject. The latest volume certifies to the continuing success of a unique series reflecting current progress in a broadly developing field of science.
期刊最新文献
Another decade of antimalarial drug discovery: New targets, tools and molecules. Harnessing conformational drivers in drug design. To homeostasis and beyond! Recent advances in the medicinal chemistry of heterobifunctional derivatives. Antibody drug conjugates beyond cytotoxic payloads. Biophysical screening and characterisation in medicinal chemistry.
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