一个网络药理学方法来阐明基酸的抗炎作用
Skyler H Hoang1, Hue Dao1, Emerson My Lam2
1Department of Cell Biology and Neuroscience, Rutgers University, Piscataway, New Jersey, USA.
Journal of biomolecular structure & dynamics
|July 31, 2023
概括
埃拉基酸 (EA) 通过向AKT1和PTGS2等关键蛋白质,显示出抗炎作用. 这项研究使用了网络药理学来识别这些分子标,证实了EA的存在.
科学领域:
- 自然产品 化学 化学
- 药理学 药理学是指药理学的学科.
- 计算生物学 计算生物学
背景情况:
- 基酸 (EA) 是一种天然的多,具有抗氧化特性和潜在的健康益处.
- 有证据表明EA具有抗炎作用,但精确的分子机制需要阐明.
- 网络药理学提供了一个系统层面的方法来理解药物向相互作用.
研究的目的:
- 通过网络药理学方法研究埃拉基酸 (EA) 的抗炎性质.
- 确定EA发挥抗炎作用的关键分子标和信号通路.
- 通过分子对接和动态模拟来验证潜在的EA目标.
主要方法:
- 网络药理学分析以确定EA的与炎症相关的标.
- 基因本体学 (GO) 和KEGG通路分析,以了解相关的生物过程和疾病.
- 拓分析以精确确定关键的标蛋白.
- 分子对接和分子动力学模拟以评估结合亲和力.
主要成果:
- 确定了EA的52个与炎症相关的目标.
- 揭示了与EA抗炎作用相关的重要信号通路和疾病.
- 突出了10个关键目标,包括AKT1,VEGFA,TNF,MAPK3和PTGS2.
- 分子模拟表明AKT1,PTGS2,VEGFA和MAPK3是EA最可能的直接目标.
结论:
- 这项研究证实了埃拉基酸 (EA) 的抗炎作用.
- 确定了特定的分子标 (AKT1,PTGS2,VEGFA,MAPK3),可能调解EA的抗炎作用.
- 为了解EA在炎症疾病中的治疗潜力提供了一个计算基础.
相关概念视频
03:26Acids, Bases and Neutralization Reactions
An acid-base reaction is one in which a hydrogen ion, H+, is transferred from one chemical species to another. Such reactions are of central importance to numerous natural and technological processes, ranging from the chemical transformations within cells or lakes and oceans to the industrial-scale production of fertilizers, pharmaceuticals, and other substances essential to the society.
02:16Brønsted-Lowry Acids and Bases
In 1923, the Brønsted–Lowry definition of acids and bases was proposed by Johannes Brønsted and Thomas Lowry. According to this theory, a Brønsted acid is defined as a species that donates a proton in a chemical reaction and gets converted to its conjugate base. A Brønsted base is defined as a species that accepts a proton in a chemical reaction and gets converted into its conjugate acid. These transfers of protons are caused by the displacement of electrons in these reactions, which is...
01:27Acids, Bases and Neutralization Reactions
Acids and bases play several important roles in biology. The pH of a biological system can significantly impact the function of biological molecules, including enzymes, proteins, and nucleic acids. For example, enzymes have optimal pH ranges for their activity, and changes in pH can denature or alter their structure, affecting their function. Acids and bases also play a crucial role in cellular signaling and communication. The pH of the extracellular fluid around cells can influence the...
01:23Local Anesthetics: Mechanism of Action
Local anesthetics (LAs) block sensory and motor impulses by inhibiting the sodium channels on the nerve cell membranes. This induces temporary loss of sensation, relieving pain in a specific body area.
Local anesthetics are amphiphilic molecules consisting of a hydrophobic aromatic part linked to a hydrophilic group by an ester or amide linkage. They are weak bases and are usually available as salts, which increases their solubility and stability. Once administered, LAs exist in the body either...
Local anesthetics are amphiphilic molecules consisting of a hydrophobic aromatic part linked to a hydrophilic group by an ester or amide linkage. They are weak bases and are usually available as salts, which increases their solubility and stability. Once administered, LAs exist in the body either...
01:13Acid Suppressive Drugs for Peptic Ulcer Disease: Proton Pump Inhibitors
Peptic ulcers, often induced by H. pylori infections or NSAID usage, arise from disruptions in the delicate balance of gastric acid production. Peptic ulcers stem from heightened gastric acid levels due to H. pylori infections or NSAID use. The protective mucus layer diminishes in the presence of these factors, allowing gastric acid to erode the stomach lining and form ulcers.
Gastric acid, a potent cocktail of hydrogen and chloride ions, is produced in specialized parietal cells within the...
Gastric acid, a potent cocktail of hydrogen and chloride ions, is produced in specialized parietal cells within the...
01:28Acid Suppressive Drugs for Peptic Ulcer Disease: Histamine H2-Receptor Antagonists
Histamine H2 receptors, which are intricately located on the basolateral membrane of parietal cells, play a crucial role in modulating gastric acid secretion. When released from enterochromaffin-like cells, histamine engages H2 receptors, initiating the cyclic AMP (cAMP) pathway. In this pathway, adenylyl cyclase converts ATP into cAMP, elevating intracellular cAMP levels. The activation of protein kinase A follows, stimulating the proton pump. This stimulation prompts the secretion of hydrogen...