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配体效力、效率和类药性:一个充满直觉、误解和机缘巧合的故事。

Ligand Potency, Efficiency and Drug-likeness: A Story of Intuition, Misinterpretation and Serendipity.

机构信息

Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice, Poland.

Department of Pharmacology, School of Medicine in Katowice, Medical University of Silesia, Medyków 18, 40-752 Katowice, Poland.

出版信息

Curr Protein Pept Sci. 2019;20(11):1069-1076. doi: 10.2174/1389203719666190527080832.

DOI:10.2174/1389203719666190527080832
PMID:31131749
Abstract

The concept of ligand potency is briefly discussed here as well as why this is still a challenge for its complete comprehension. In this context, we explain also the meaning of ligand efficiency (LE), which has been greeted with both enthusiasm and criticism among the drug design audience. A full understanding of LE requires the complex interpretation of the potency concept presenting the uncertainty similar to this of the Zeno paradox. In reality, the efficiency of LE is caused by the high degree of preference for slim pharma drug candidates.

摘要

本文简要讨论了配体效力的概念,以及为什么这仍然是一个挑战,无法完全理解它。在这方面,我们还解释了配体效率(LE)的含义,这在药物设计领域引起了热情和批评。要充分理解 LE,需要对效力概念进行复杂的解释,这与芝诺悖论的不确定性类似。实际上,LE 的效率是由于对苗条的药物候选物的高度偏好所致。

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Ligand Potency, Efficiency and Drug-likeness: A Story of Intuition, Misinterpretation and Serendipity.配体效力、效率和类药性:一个充满直觉、误解和机缘巧合的故事。
Curr Protein Pept Sci. 2019;20(11):1069-1076. doi: 10.2174/1389203719666190527080832.
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Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships.谨防配体效率(LE):理解结构-活性和结构-经济性关系建模中的LE数据。
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Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space.改进药物设计:效率指标近期应用、替换有问题元素的策略以及非传统药物领域化合物的最新进展
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