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C3-Symmetric ligands in drug design: An overview of the challenges and opportunities ahead
Bioorganic & Medicinal Chemistry Letters ( IF 2.7 ) Pub Date : 2024-03-13 , DOI: 10.1016/j.bmcl.2024.129702
Maha A. Alshubramy , Faez S. Alotaibi , Hamad M. Alkahtani , Khalid A. Alamry , Mahmoud A. Hussein

C3-symmetry is a type of star-shaped molecule consisting of a central core and three symmetrically attached chains. These molecules are used in drug discovery due to their unique three-fold rotational symmetry, which allows for specific binding interactions and improved molecular recognition. In this text, we provide an overview of synthetic approaches with C3-symmetry as a pharmaceutical tool: progress, challenges, and opportunities. C3-symmetric ligands offer both challenges and opportunities in drug design. Their unique symmetry can enhance binding interactions, but careful consideration of rigidity, synthetic complexity, and target compatibility is crucial. Further research and advancements in synthetic methods and modeling tools will likely drive their exploration in drug discovery, leading to the discovery of potent C3-symmetric ligands.

中文翻译:

药物设计中的 C3 对称配体:未来挑战和机遇概述

C3对称性是一种星形分子,由一个中心核和三个对称连接的链组成。这些分子因其独特的三重旋转对称性而被用于药物发现,这允许特定的结合相互作用并改善分子识别。在本文中,我们概述了以 C3 对称性作为制药工具的合成方法:进展、挑战和机遇。 C3 对称配体为药物设计带来了挑战和机遇。它们独特的对称性可以增强结合相互作用,但仔细考虑刚性、合成复杂性和目标兼容性至关重要。合成方法和建模工​​具的进一步研究和进步可能会推动他们在药物发现方面的探索,从而发现有效的 C3 对称配体。
更新日期:2024-03-13
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