混合物生物转化:克拉肝代谢物的多层分子网络
William J Crandall1, Jaclyn Weinberg1, Ken Liu2
1Molecular and Systems Pharmacology, Emory University, 201 Dowman Drive, Atlanta, Georgia 30322, United States.
Journal of natural products
|February 10, 2026
概括
分子网络有效地表征了像kratom这样的天然产品的复杂新陈代谢. 这种方法有助于识别药物代谢物,了解它们的治疗和毒理作用.
科学领域:
- 药理学 药理学是指药理学的学科.
- 自然产品化学 自然产品化学
- 代谢学 代谢学 代谢学
背景情况:
- 药物的代谢物影响治疗效果,需要研究它们以了解药物的作用.
- 研究复杂的天然产品混合物需要超越单一化合物分析的先进方法.
研究的目的:
- 评价分子网络对于描述天然产品混合物的代谢的有用性.
- 使用体外方法和分子网络分析卡 (Mitragyna speciosa) 的生物转化.
主要方法:
- 单个化合物和 kratom 提取物的体外生物转化使用人类肝脏 S9 分数.
- 液体染色学-高分辨率质谱学 (LC-HRMS) 用于代谢物检测.
- 多层分子网络用于分析复杂的代谢数据.
主要成果:
- 分子网络成功地以半向的方式预测了前体的代谢物.
- 检测到的都是I阶段和II阶段的代谢物.
- 当化合物在复杂混合物中被分析时,与隔离相比,代谢概况有显著差异.
结论:
- 分子网络是复杂的天然产品混合物中代谢物识别的强大工具.
- 这种方法增强了对 kratom 等药理活性植物的治疗和毒理机制的理解.
相关概念视频
Mixtures of Acids
21.9K
The pH of a solution containing an acid can be determined using its acid dissociation constant and its initial concentration. If a solution contains two different acids, then its pH can be determined using one of several methods depending upon the relative strength of the acids and their dissociation constants.
A Mixture of a Strong Acid and a Weak Acid
In a mixture of a strong acid and a weak acid, the strong acid dissociates completely and becomes a source of almost all the hydronium ions...
A Mixture of a Strong Acid and a Weak Acid
In a mixture of a strong acid and a weak acid, the strong acid dissociates completely and becomes a source of almost all the hydronium ions...
21.9K
Mixtures of Acids
1.1K
The pH of a solution containing an acid can be determined using its acid dissociation constant and initial concentration. If a solution contains two different acids, then its pH can be determined using one of several methods depending on the relative strength of the acids and their dissociation constants.
In a strong and weak acid mixture, the strong acid dissociates completely and becomes a source of almost all the hydronium ions present in the solution. In contrast, the weak acid shows...
In a strong and weak acid mixture, the strong acid dissociates completely and becomes a source of almost all the hydronium ions present in the solution. In contrast, the weak acid shows...
1.1K
Drug Biotransformation: Overview
3.8K
Pharmaceutical substances known as xenobiotics are predominantly lipophilic and nonionized. This enables them to permeate lipid bilayers, such as cell membranes, and interact with intracellular target receptors. Lipophilic drugs have an advantage in crossing biological barriers and reaching their intended sites of action. However, lipophilic drugs often have a restricted capacity for renal expulsion or elimination from the body. When these drugs enter the kidneys and undergo glomerular...
3.8K
Drug Biotransformation: Overview
2.9K
Biotransformation, also known as drug metabolism, is a vital physiological process that chemically alters drugs, facilitating their elimination from the body and terminating their action. This process involves two main phases: phase I and phase II reactions. Phase I reactions, including oxidation, reduction, and hydrolysis, introduce or unmask polar functional groups on the drug molecule, thereby increasing its water solubility. By enhancing water solubility, the drug becomes more hydrophilic...
2.9K
Protein Networks
4.6K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.6K
Factors Affecting Drug Biotransformation: Biological
628
Biological factors significantly impact drug metabolism, influencing drug clearance, efficacy, and potential toxicity.
Species differences: Variations in enzyme systems across species can cause disparities in drug metabolism. For instance, humans may metabolize certain drugs faster than rodents, altering therapeutic effects.
Strain differences: Genetic variations within a species can result in differing enzyme activity, impacting drug response and toxicity. For example, some mouse strains may...
Species differences: Variations in enzyme systems across species can cause disparities in drug metabolism. For instance, humans may metabolize certain drugs faster than rodents, altering therapeutic effects.
Strain differences: Genetic variations within a species can result in differing enzyme activity, impacting drug response and toxicity. For example, some mouse strains may...
628


