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相关概念视频

Drug Absorption Mechanism: Passive Membrane Transport01:23

Drug Absorption Mechanism: Passive Membrane Transport

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Passive transport is a method of drug absorption where small, lipid-soluble drugs can move across the cell membrane. This movement happens along the concentration gradient, which is a natural flow from higher to lower concentration areas. The speed at which the drug moves is directly related to its lipid–water partition coefficient. This means that the more a drug dissolves in lipids, the faster it diffuses or spreads throughout the body. It is important to note that most drugs are either...
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Pore Transport and Ion-Pair Transport01:17

Pore Transport and Ion-Pair Transport

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Pore transport and ion-pair formation are critical mechanisms for the absorption and distribution of drugs in the body.
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited  but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct...
425
Passive Diffusion: Overview and Kinetics01:17

Passive Diffusion: Overview and Kinetics

451
Passive diffusion is a critical process that allows small lipophilic drugs to cross the cell membrane along a concentration gradient. This mechanism's efficiency depends on four primary factors: the membrane's surface area, the drug's lipid-water partition coefficient, the concentration gradient, and the membrane's thickness.
When administered orally, drugs establish a substantial concentration gradient between the gastrointestinal (GI) lumen and the bloodstream, expediting...
451
Methods for Studying Drug Absorption: In vitro01:16

Methods for Studying Drug Absorption: In vitro

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In vitro experiments are crucial for understanding the transport and absorption of drugs through biological materials. These studies employ varied methods such as the diffusion cell method, the everted sac technique, and the everted ring technique.
The diffusion cell method uses a two-compartment cell, including a donor compartment with the drug solution, which simulates the environment where the drug is applied, and a receptor compartment with a buffer solution, which simulates the environment...
225
Factors Affecting Drug Distribution: Tissue Permeability01:30

Factors Affecting Drug Distribution: Tissue Permeability

184
The drug distribution process within the human body is a complex interplay of various physicochemical properties inherent to the drugs. These properties, including molecular size, ionization degree, partition coefficient, and stereochemical nature, significantly impact how drugs permeate biological membranes to reach their target tissues.
Small molecules with a molecular weight below 500 to 600 Daltons can easily pass through the capillary membrane, gaining access to different tissues. Larger...
184
Mechanisms of Drug Absorption: Paracellular, Transcellular, and Vesicular Transport01:23

Mechanisms of Drug Absorption: Paracellular, Transcellular, and Vesicular Transport

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Drugs need to permeate cell membranes to reach their target sites after administration. Orally administered drugs must transcend intestinal epithelial membrane barriers to infiltrate the systemic circulation. Drugs with a molecular weight of less than 500 Daltons diffuse through gaps between neighboring cells, called paracellular pathways.
However, most drugs use the transcellular route, traversing directly through the cell membranes via two mechanisms: passive and active transport. Passive...
509

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相关实验视频

Updated: Jun 23, 2025

A Method for Determination and Simulation of Permeability and Diffusion in a 3D Tissue Model in a Membrane Insert System for Multi-well Plates
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模拟可电离分子的皮肤透过程.

Magnus Lundborg1,2, Christian Wennberg1,3, Erik Lindahl4,5

  • 1SciLifeLab, ERCO Pharma AB, 171 65 Solna, Sweden.

Journal of chemical information and modeling
|June 25, 2024
PubMed
概括

可电离药物分子穿透皮肤屏障. 虽然动态质子化模拟提供了洞察力,但皮肤透系数的计算只能依赖这些分子的中性形式.

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Visualizing and Quantifying Pharmaceutical Compounds within Skin using Coherent Raman Scattering Imaging
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Assembly of Cell Mimicking Supported and Suspended Lipid Bilayer Models for the Study of Molecular Interactions
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A Method for Determination and Simulation of Permeability and Diffusion in a 3D Tissue Model in a Membrane Insert System for Multi-well Plates
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科学领域:

  • 药理动力学 药理动力学
  • 计算化学计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 电离性分子,如药物,在制药中至关重要.
  • 皮肤屏障对药物输送具有重大挑战.
  • 目前的模型通常假定中性药物物种的被动扩散.

研究的目的:

  • 为了研究皮肤透过程中可电离分子的动态质子化行为.
  • 确定是否需要动态质突模拟来计算皮肤透系数.
  • 为了比较弱酸与弱通过脂质双层的透.

主要方法:

  • 使用了分子动力学 (MD) 模拟.
  • 对分子的充电状态和中性状态进行了单独的模拟.
  • 在脂质屏障模型中研究了三个弱酸和三个弱.

主要成果:

  • 弱酸在pKa附近的脂质头组区域显示出比弱更高的电离.
  • 动态质子化模拟提供了关于分子行为的信息数据.
  • 然而,这些动态模拟在研究的案例中对于透系数计算来说并不必不可少.

结论:

  • 皮肤透性计算只能有效地利用电离分子中性形式.
  • 假设中性形式的透性足以计算透系数.
  • 了解动态质子是有价值的,但并不总是需要进行定量预测.