对药物聚合物纳入复合物的形成进行分子洞察
Binbin Liu1, Changrui Li2, Ziqiao Chen1
1School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China.
International journal of pharmaceutics
|January 6, 2024
概括
药物聚合物包容复合物 (ICs) 形成独特的通道. 碳氨酸 (CBZ) 单独形成稳定的通道,而灰色氨酸 (GSF) 则需要客聚合物以保持这些新型固体形式的结构稳定性.
科学领域:
- 固态化学 固态化学
- 材料科学是一种材料科学.
- 制药科学 制药科学
背景情况:
- 药物聚合物纳入复合物 (ICs) 是药物特性修饰的新型固体形式.
- 了解这些ICs的形成机制至关重要,但有限.
- 道型IC代表了一个特定的结构图案,具有潜在的应用.
研究的目的:
- 阐明控制碳胺 (CBZ) 和灰色胺 (GSF) 道型ICs结构结构结构的分子过程.
- 研究客聚合物在稳定这些药物聚合物相互作用中的作用.
- 为了解药物分子在IC形成中的自我组装行为提供见解.
主要方法:
- 微滴融结晶用于单晶结构的确定.
- 单晶X射线衍射分析.
- 密度函数理论 (DFT) 计算和分子动力学 (MD) 模拟.
主要成果:
- 由于它们的形形结构和pi-pi相互作用,CBZ分子自发形成稳定的通道结构.
- GSF通道需要客聚合物进行稳定,由于弱分子间相互作用而缺乏内在稳定性.
- 十一个药物聚合物IC显示出一致的通道大小 (3.81-5.18 Å) 尽管不同的施工方法.
结论:
- 这项研究揭示了CBZ和GSF在通道型IC中的独特自组装机制.
- 客聚合物在稳定某些药物通道方面发挥着关键作用,例如由GSF形成的药物通道.
- 这些发现有助于在药物开发中对新型药物-聚合物固体形式的理论预测和实际应用.
相关概念视频
Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism
310
Polymorphism refers to the existence of a drug substance in multiple crystalline forms, known as polymorphs. Recently, this term has been expanded to include solvates (forms containing a solvent), amorphous forms (non-crystalline forms), and desolvated solvates (forms from which the solvent has been removed).
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
310
Polymer Classification: Crystallinity
2.9K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.9K
Cationic Chain-Growth Polymerization: Mechanism
2.3K
The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
2.3K
Polymers
35.8K
The word polymer is derived from the Greek words “poly” which means “many” and “mer” which means “parts”. Polymers are long chains of molecules composed of repeating units of smaller molecules, known as monomers. They either occur naturally, such as DNA and proteins, or can be constructed synthetically, like plastics. They have varied structural characteristics, such as linear chains, branched chains, or complex networks, that contribute to the...
35.8K
Factors Influencing Drug Absorption: Physicochemical Parameters
278
The physicochemical characteristics of drugs play a crucial role in formulating stable and bioavailable drug products. The solubility of a drug, governed by the varying pH along the GI tract and its dissociation constant (pKa), is pivotal in determining its ionization state and absorption rate. Notably, weak acids and bases remain unionized and are absorbed more rapidly.
Enhanced drug absorption can be achieved by reducing particle sizes and increasing surface areas, thereby facilitating...
Enhanced drug absorption can be achieved by reducing particle sizes and increasing surface areas, thereby facilitating...
278
Factors Influencing Drug Absorption: Pharmaceutical Parameters
134
Solid dosage forms such as tablets and capsules undergo rigorous manufacturing processes to ensure stability and effectiveness. Their dissolution and absorption properties are influenced significantly by the choice of excipients (inactive ingredients that serve various roles in the formulation), and the methodology applied during production. The manufacturing parameters, such as compression force and granulation techniques, significantly affect dissolution rates. Elevated compression forces...
134


