固执分子与三核复合物的乙化-标记辅助共结晶
Jian-Guo Song1,2,3, Shi-Hao Ding1,2,3, Yi-Fan Liu1,2,3
1State Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, Jinan University, Guangzhou 510632, People's Republic of China.
Journal of the American Chemical Society
|January 26, 2026
概括
这项研究引入了在现场乙化标记方法,用于共同结晶具有挑战性的分子. 这种技术有助于确定复杂的天然产品和药物的结构和配置.
科学领域:
- 晶体学
- 超分子化学
- 有机化学
背景情况:
- 结晶学分析对于确定化学结构和绝对配置至关重要.
- 难以结晶的分子,特别是含有基或氨基群的分子的联合结晶仍然是结构阐明的一个重大挑战.
研究的目的:
- 开发一种新的现场乙化标记方法,使具有挑战性的分子能够共同结晶.
- 为了促进自然产品和药物的结构确定,否则很难结晶.
主要方法:
- 使用乙化试剂和循环三核复合物 (Ag3Pz3) 使用现场乙化标记方案.
- 该方法涉及在添加试剂后在NMR管中缓慢蒸发以促进单晶形成.
- 电子丰富的乙烯基组和缺电子的Ag3Pz3复合体之间的超分子相互作用驱动共结晶.
主要成果:
- 成功结晶并确定了40多种难以结晶的分子,包括酒精和氨基.
- 证明了该方案对复杂的天然糖化物和制药分子的有效性.
- 确认这些特定分子的Ag3Pz3共结晶是必不可少的.
结论:
- 在现场的乙化标记方法提供了一种可靠的方法,用于与基或氨基基团一起结晶和分析分子.
- 这项协议扩大了复杂天然产品和药品的晶体分析范围.
- 该方法为具有挑战性的化合物的结构阐明提供了强大的工具.
相关概念视频
Protein Complex Assembly
16.7K
Proteins can form homomeric complexes with another unit of the same protein or heteromeric complexes with different types. Most protein complexes self-assemble spontaneously via ordered pathways, while some proteins need assembly factors that guide their proper assembly. Despite the crowded intracellular environment, proteins usually interact with their correct partners and form functional complexes.
Many viruses self-assemble into a fully functional unit using the infected host cell to...
Many viruses self-assemble into a fully functional unit using the infected host cell to...
16.7K
Phase II Reactions: Acetylation Reactions
797
Acetylation, a phase II biotransformation reaction, introduces an acetyl group to drugs or their metabolites. Acetyltransferase enzymes facilitate this reaction, which resembles α-amino acid conjugation due to the addition of a functional group to the drug molecule.
The substrates for acetylation are typically drugs or their metabolites with an amino, sulfonamide, or hydrazine functional group. Acetylation can occur at several points in the drug molecule, including primary, secondary, and...
The substrates for acetylation are typically drugs or their metabolites with an amino, sulfonamide, or hydrazine functional group. Acetylation can occur at several points in the drug molecule, including primary, secondary, and...
797
Formation of Complex Ions
26.0K
A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
26.0K
Protein Complexes with Interchangeable Parts
2.9K
Groups of proteins may form a complex where each protein in this complex has a different role in the overall execution of the complex’s function. Often some of the proteins in the complex can be replaced by a closely related variant to give a complex that contains many of the same components yet is functionally distinct.
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
2.9K
Molecules and Compounds
68.5K
Atoms and Molecules
68.5K
Crystal Field Theory - Octahedral Complexes
30.8K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.8K


