当前位置：
X-MOL 学术
›
Mol. Pharmaceutics
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
A Look at Receptor-Ligand Pairs for Active-Targeting Drug Delivery from Crystallographic and Molecular Dynamics Perspectives.
Molecular Pharmaceutics ( IF 4.5 ) Pub Date : 2019-07-05 , DOI: 10.1021/acs.molpharmaceut.9b00250 Gergana Gocheva 1 , Anela Ivanova 1
Molecular Pharmaceutics ( IF 4.5 ) Pub Date : 2019-07-05 , DOI: 10.1021/acs.molpharmaceut.9b00250 Gergana Gocheva 1 , Anela Ivanova 1
Affiliation
|
Optimization of the systems for active-targeting drug delivery is a pending task in view of more directed transport of the active components to neoplastic cells. One of the ways to improved performance of the drug carriers is refinement of their molecular composition, size, and specific interactions with membrane receptors. Better understanding of the latter is possible through molecular-level investigation of the process of direction of the transporters to target proteins on the surface of cells. This involves unveiling the communication between these receptors and their native ligands, which can be used as vectors for targeting the drugs. The review summarizes the current knowledge on the structure, function, and ligand binding of several most common receptors, overexpressed on various types of cancer cells, and, hence, available as potential drug delivery targets. Then, the results from molecular modeling of these proteins and ligands with atomistic equilibrium molecular dynamics simulations are recapped. The digest illustrates that the computational outcome is a valuable source of microscopic information, that accurate computational methodology is available and well mastered, and that there is much room for future developments focused on even more extensive and realistic applications in the area of targeted drug delivery.
中文翻译：
从晶体学和分子动力学的角度看主动配药的受体-配体对。
考虑到活性组分向肿瘤细胞的更直接的运输，用于活性靶向药物递送的系统的优化是一项悬而未决的任务。改善药物载体性能的方法之一是优化其分子组成，大小以及与膜受体的特异性相互作用。通过分子水平研究转运蛋白定向到细胞表面靶蛋白的过程，可以更好地理解后者。这涉及揭示这些受体与其天然配体之间的通讯，这些通讯可用作用作靶向药物的载体。该综述总结了在几种类型的癌细胞中过表达的几种最常见受体的结构，功能和配体结合的当前知识。可作为潜在的药物输送目标。然后，将这些蛋白质和配体的分子建模结果与原子平衡分子动力学模拟结果进行比较。文摘表明，计算结果是微观信息的宝贵来源，准确的计算方法是可用的并且已被很好地掌握，并且未来的发展还有很大的空间，着眼于靶向药物输送领域的更广泛和现实的应用。
更新日期：2019-06-17
中文翻译：
从晶体学和分子动力学的角度看主动配药的受体-配体对。
考虑到活性组分向肿瘤细胞的更直接的运输，用于活性靶向药物递送的系统的优化是一项悬而未决的任务。改善药物载体性能的方法之一是优化其分子组成，大小以及与膜受体的特异性相互作用。通过分子水平研究转运蛋白定向到细胞表面靶蛋白的过程，可以更好地理解后者。这涉及揭示这些受体与其天然配体之间的通讯，这些通讯可用作用作靶向药物的载体。该综述总结了在几种类型的癌细胞中过表达的几种最常见受体的结构，功能和配体结合的当前知识。可作为潜在的药物输送目标。然后，将这些蛋白质和配体的分子建模结果与原子平衡分子动力学模拟结果进行比较。文摘表明，计算结果是微观信息的宝贵来源，准确的计算方法是可用的并且已被很好地掌握，并且未来的发展还有很大的空间，着眼于靶向药物输送领域的更广泛和现实的应用。
京公网安备 11010802027423号