A Method to Predict Blood-Brain Barrier Permeability of Drug …
Two gold-standard experimental measures of BBB permeability are logBB (the concentration of drug in the brain divided by concentration in the blood) and logPS (permeability surface-area …
成药性相关小知识(5):血脑屏障通透性 - 知乎 - 知乎专栏
影响中枢药物研发成功的一个主要因素就是血脑屏障(blood-brain barrier, BBB), 几乎阻挡了 100%的大分 子药物及大于 98%的小分子药物[2]。因此, 除了需要 具有较好的活性和代谢性质 …
Molecular determinants of blood–brain barrier permeation - PMC
The blood–brain barrier (BBB) is a microvascular unit which selectively regulates the permeability of drugs to the brain. With the rise in CNS drug targets and diseases, there is a need to be …
成药性相关小知识(1):亲脂性——logP、logD - 知乎
Log P被用来预测化合物在血脑屏障（BBB）的通透性[8]。 Log P是辛醇和 水相分配 的Log P减去环己烷和水相分配的 Log P。 其差值主要来源于氢键对 Log POW（辛醇/水）和Log PCW（ …
Blood–brain barrier penetration prediction enhanced by …
2022年7月7日 · Blood–brain barrier is a pivotal factor to be considered in the process of central nervous system (CNS) drug development, and it is of great significance to rapidly explore the …
Predicting a Drug’s Membrane Permeability: A Computational …
2017年4月28日 · The parameter that determines the lipophilicity of a molecule is LogP (the partition coefficient of the molecule between an aqueous and lipophilic phase, usually water …
应用于药物评价的血脑屏障模型研究进展_大分子_溶剂_logP
2022年3月26日 · 血脑屏障(brain-blood barrier,BBB)是脑毛细血管阻止某些物质(多半是有害的)进入脑循环,从而保持脑组织内环境基本稳定的一种基本结构｡从生物学和功能角度来看,BBB在 …
The Relationship Between the Blood-Brain-Barrier and the Central ...
Despite extensive research into the central mechanism of GLP-1RAs and SGLT-2is, the penetration of the blood-brain barrier (BBB) remains controversial. This review discusses the …
A prediction model for blood–brain barrier permeation and analysis …
2009年9月1日 · The optimum logP for designing CNS active drug is about 2.9 (Fig. 5). When the logP is lower than 2.9, it has a positive correlation with logBB. It indicates that molecules with …
基于机器学习的定量模型 (LogBB_Pred)，用于预测 ... - X-MOL
为了推进和提高神经治疗药物发现的成功率，有必要开发一个精确的计算定量模型来确定药物的绝对 logBB 值（大脑中药物浓度与血液中药物浓度的对数比）。 候选药物。 结果在这里，我们 …