超分子受体的合理设计,以在高盐度条件下保持一致的结合亲和度
Borja Gómez-González1, Nuno Basílio2, Belén Vaz3,4
1Department of Physical Chemistry, Universidade de Santiago de Compostela, Santiago de Compostela 15782, Spain.
The Journal of organic chemistry
|April 17, 2025
概括
新的zwitterionic合成受体克服了传统充电分子的局限性. 这些稳定,可适应的系统在复杂的环境中保持高结合效率,促进生物医学应用的分子识别.
科学领域:
- 超分子化学 超分子化学
- 材料科学 材料科学 材料科学
- 生物医学工程 生物医学工程
背景情况:
- 溶于水的多电荷宏循环是生物医学分子识别的关键.
- 传统的多离子和多离子受体由于离子选和自我离子配对而受到降低的结合效率,特别是在高盐度条件下.
- 这些限制阻碍了它们在生理环境中的表现.
研究的目的:
- 开发新的合成受体,克服传统多离子受体的性能限制.
- 在具有挑战性的环境中设计具有增强稳定性和结合效率的zwitterionic宏循环.
- 为了实现治疗和诊断应用的选择性分子识别.
主要方法:
- 具有特定结构特征的zwitterionic合成受体的设计和合成.
- 研究宿主度对复合热力学影响的研究.
- 在高盐度环境中评估受体性能.
- 评估封装zwitterionic客人的能力.
主要成果:
- 消除自我离子配对,使宿主度独立于结合热力学.
- 实现了独立稳定,在高盐度条件下保护识别部位免受外部离子的影响.
- 证明成功封装了具有挑战性的zwitterionic客人.
- 建立了适应复杂环境的稳定和可适应的受体系统.
结论:
- 兹维特里离子合成受体比传统的多离子受体有了显著的进步.
- 这些新型宏循环在生理和高盐度条件下提供了增强的稳定性,适应性和结合效率.
- 这些发现为改善生物医学应用中的分子识别策略铺平了道路.
相关概念视频
Ligand Binding Sites
12.6K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
12.6K
The Equilibrium Binding Constant and Binding Strength
12.7K
The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
12.7K
Drug-Receptor Bonds
2.6K
Drug-receptor bonds are formed through various chemical forces when drugs interact with target cells. Covalent bonds, strong and irreversible, are exemplified by DNA-alkylating anticancer agents that inhibit cell division. However, such irreversible drug binding lacks selectivity and can modify the DNA of the surrounding healthy cells. Covalent binding often contributes to tissue toxicity, as seen with chloroform and paracetamol metabolites binding to the liver, causing hepatotoxicity.
In...
In...
2.6K
Structure-Activity Relationships and Drug Design
443
Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
443
Ligand Binding and Linkage
4.7K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked. In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
4.7K
The Two-State Receptor Model
1.8K
The two-state receptor model explains a drug's interaction with receptors, such as G protein-coupled receptors and ligand-gated ion channels, to induce or inhibit a biological response. When no natural ligands are present, a receptor exists in an equilibrium of inactive (Ri) and active (Ra) conformations. The inactive form does not produce a response, while the active form generates a basal effect known as constitutive activity.
The binding affinity of a drug determines its interaction with...
The binding affinity of a drug determines its interaction with...
1.8K


