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Factors Influencing Drug Absorption: Drug Dissolution01:27

Factors Influencing Drug Absorption: Drug Dissolution

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The pharmacokinetic journey of drugs from solid oral dosage forms into systemic circulation is multifaceted. It begins with disintegration, a prerequisite ensuring a solid dosage form's subdivision into minute particles. Dissolution occurs next as these granulated entities solubilize in gastrointestinal fluids. This solubilization is crucial for the succeeding stage, permeation, which describes the traversal of the drug across the intestinal membrane and its subsequent entry into the blood...
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Factors Affecting Dissolution: Drug Permeability, Stability and Stereochemistry01:20

Factors Affecting Dissolution: Drug Permeability, Stability and Stereochemistry

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Orally administered drugs primarily enter the systemic circulation via passive diffusion through the intestinal membranes. The drug's absorption is influenced by drug stability in the gastrointestinal GI tract, membrane permeability, the surface area available for absorption, luminal drug concentration, and residence time in the lumen. Drug permeability can be enhanced by adjusting the lipophilicity, polarity, or molecular size of the drug, promoting its passive transport across intestinal...
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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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Passive Diffusion: Overview and Kinetics01:17

Passive Diffusion: Overview and Kinetics

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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...
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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...
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Factors Influencing Drug Absorption: Physicochemical Parameters01:22

Factors Influencing Drug Absorption: Physicochemical Parameters

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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...
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Visualizing and Quantifying Pharmaceutical Compounds within Skin using Coherent Raman Scattering Imaging
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了解药物 皮肤透增强剂 使用分子动力学模拟

Christian Wennberg1, Magnus Lundborg1, Erik Lindahl2,3

  • 1Science for Life Laboratory, ERCO Pharma AB, 171 65 Solna, Sweden.

Journal of chemical information and modeling
|July 18, 2023
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概括

分子动力学模拟通过模拟药物与皮肤相互作用,揭示了透增强剂 (PE) 如何影响通过皮肤传递药物. 这种方法有助于设计改进的局部配方,以提高药物透率.

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科学领域:

  • 药理学 药理学 是一个学科.
  • 生物物理学的生物物理.
  • 材料科学 材料科学 材料科学

背景情况:

  • 皮肤的透性屏障限制了通过皮肤递送药物.
  • 化学透增强剂 (PE) 用于改善局部配方中的药物皮肤透性.
  • 目前的体外测试方法测量净效应,但缺乏对PE-皮肤相互作用的分子洞察力,阻碍了合理的配方设计.

研究的目的:

  • 调查各种PE对美特罗尼达,咖啡因和纳普罗森通过皮肤传输的影响.
  • 阐明PE与皮肤屏障相互作用背后的分子机制.
  • 开发一种计算模型,用于预测局部药物配方中的PE疗效.

主要方法:

  • 原子分子动力学 (MD) 模拟用于模拟11种含PE的配方.
  • 计算了配方和皮肤屏障之间的自由能量差异,以确定皮肤中的PE度.
  • 使用修改后的屏障结构来计算特定药物的PE透性增强比率 (ERs).

主要成果:

  • MD模拟成功地根据其增强比率 (ERs) 复制了PE的排名.
  • 对于计算的分区系数,实现了0.58日志单位的平方根平均误差 (RMSE).
  • 与实验数据的定量相关性需要进一步细化,因为测量变化.

结论:

  • MD模拟为透增强的分子机制提供了宝贵的见解.
  • 开发的模型为局部药物配方的合理设计提供了一个有希望的方法.
  • 需要对计算模型进行进一步的改进,以便精确地定量预测透皮药物输送.