对乙胆,尼古丁和肌糖离子在气相和水溶液结构之间的过渡进行实验观察
Mahamadou Seydou1, Gilles Grégoire, Jean Liquier
1Laboratoire de Physique des lasers, UMR 7538 CNRS, Université Paris 13, 93430 Villetaneuse, France.
Journal of the American Chemical Society
|March 4, 2008
概括
这项研究使用红外光谱学来分析乙胆,尼古丁和肌肉素. 补水显著改变了乙胆和尼古丁的结构,而肌肉素在很大程度上不受影响.
科学领域:
- 分子光谱学 分子光谱学
- 计算化学计算化学
- 生物化学 生物化学
背景情况:
- 了解神经递质及其激动剂的结构对于药理学至关重要.
- 溶剂效应在分子构成和相互作用中起着重要作用.
- 红外 (IR) 光谱学提供了关于分子的详细结构信息.
研究的目的:
- 在不同的环境中阐明乙胆,尼古丁和肌肉素的结构和形状变化.
- 研究水溶液对这些分子的药用组的影响.
- 为了比较这三种相关化合物的水合效应.
主要方法:
- 气相和低pH水溶液的红外 (IR) 光谱采集.
- 模拟的红外光谱生成使用明确的水分子和极化连续模型.
- 分析光谱数据以确定形状变化和质突位点.
主要成果:
- 溶剂的存在改变了柔性乙胆离子的构造空间,减少了水合物种中药用组之间的距离.
- 补水会诱导尼古丁离子的显著光谱变化,表明质子化位点的变化.
- 由于水的存在,肌肉离子结构的变化最小.
结论:
- 水性环境显著影响乙胆和尼古丁的构成,影响它们的潜在相互作用.
- 尼古丁的质子化部位对水分很敏感,与肌肉蛋白不同.
- 红外光谱是一种强大的工具,用于探测溶液中的分子行为.
相关概念视频
Direct-Acting Cholinergic Agonists: Chemistry and Structure-Activity Relationship
Cholinergic agonists or cholinomimetics mimic the action of acetylcholine to stimulate the parasympathetic nervous system. They are categorized into direct-acting and indirect-acting agents. The direct-acting cholinergic drugs induce the parasympathetic response by directly binding to the muscarinic or nicotine receptors. In comparison, the indirect-acting cholinergic drugs prevent acetylcholine hydrolysis, indirectly contributing to the extended parasympathetic response.
The direct-acting...
The direct-acting...
Cholinergic Antagonists: Chemistry and Structure-Activity Relationship
Cholinergic antagonists bind to cholinergic receptors and limit the effects of acetylcholine and other cholinergic agonists. Based on the specific cholinergic receptor affinity, these antagonists are classified as muscarinic or nicotinic. Anticholinergics interrupt parasympathetic innervations while sympathetic innervations remain uninterrupted. Muscarinic antagonists are also called 'muscarinic antagonists', 'antimuscarinics', or 'parasympatholytics'. Nicotinic antagonists are called...
Cholinergic Receptors: Nicotinic
Nicotinic receptors are ligand-gated ion channels that are activated by acetylcholine and nicotine. Upon activation, they cause a rapid increase in the permeability of cells to K+, Na+, and Ca2+, followed by depolarization and excitation. They are in the autonomic ganglia, skeletal neuromuscular junction, CNS, and adrenal medulla.
There are two types of nicotinic receptors: neuromuscular (NM/NM/N1) and neuronal (NN/NN/N2). The two families differ based on their location and selectivity to...
There are two types of nicotinic receptors: neuromuscular (NM/NM/N1) and neuronal (NN/NN/N2). The two families differ based on their location and selectivity to...
Indirect-Acting Cholinergic Agonists: Chemistry and Structure-Activity Relationship
Indirect-acting cholinergic agonists are agents that interact with the acetylcholinesterase enzyme in the synaptic cleft, preventing the breakdown of acetylcholine into choline and acetate. Consequently, the concentration of acetylcholine in the synaptic cleft increases. These agonists can be classified into reversible and irreversible inhibitors based on their duration of action.
Reversible inhibitors display short to medium durations of action. Short-acting agents include simple alcohols with...
Reversible inhibitors display short to medium durations of action. Short-acting agents include simple alcohols with...
Cholinergic Receptors: Muscarinic
The pharmacological actions of acetylcholine are elicited via its binding to two families of cholinergic receptors or cholinoceptors, namely, muscarinic and nicotinic receptors. Muscarinic receptors are G protein-coupled receptors and have five subtypes, M1–M5. All mAChR subtypes are activated by acetylcholine and blocked by the antagonist, atropine.
The subtypes M1, M3, and M5 couple with the Gq subunit and activate the phospholipase C (PLC) activity, mobilizing intracellular Ca2+. Activation...
The subtypes M1, M3, and M5 couple with the Gq subunit and activate the phospholipase C (PLC) activity, mobilizing intracellular Ca2+. Activation...
Direct-Acting Cholinergic Agonists: Pharmacokinetics
Direct-acting cholinergic agonists, such as synthetic choline esters and naturally occurring alkaloids, exert their effects by enhancing the actions of acetylcholine and stimulating the parasympathetic nervous system. Synthetic choline esters share structural similarities with acetylcholine. For example, they have a positively charged quaternary ammonium or onium group, contributing to their hydrophilic characteristics. As a result, they are poorly absorbed in the body through oral...


