Si-Ni-San对焦虑失眠的多目标机制:网络药理学和分子对接分析的一个例子
Chih Ting Lin1,2, Hsin Yi Lin3, Wen Huang Peng3
1The School of Chinese Medicine for Post-Baccalaureate, I-Shou University, No. 8, Yida Rd., Jiaosu Village Yanchao District, Kaohsiung City, 82445, Taiwan.
Current medicinal chemistry
|October 16, 2024
概括
Si-Ni-San (SNS) 可以通过向多种化合物,蛋白质和途径来治疗焦虑性失眠. 这项网络药理学和分子对接研究为SNS提供了理论基础.
科学领域:
- 传统中国医药 传统中国医药
- 计算药理学计算药理学
- 网络药理学 网络药理学
背景情况:
- 焦虑失眠是一种复杂的疾病,治疗选择有限.
- Si-Ni-San (SNS) 是一种传统的草药配方,具有潜在的治疗益处.
研究的目的:
- 通过网络药理学和分子对接,阐明SNS在治疗焦虑失眠中的多目标,多途径机制.
- 在SNS公式中识别关键活性化合物及其相应的目标.
主要方法:
- 使用Cytoscape.net进行网络构建 (组件-组合物-目标) 和可视化.
- 蛋白与蛋白相互作用 (PPI) 网络分析.
- 基因本体学 (GO) 和基因和基因组的京都百科全书 (KEGG) 路径丰富分析.
- 分子对接模拟以验证连接体-受体相互作用.
主要成果:
- 确定了31种活性化合物和59种与焦虑性失眠相关的基因.
- 核心目标包括AKT1,IL6,TNF,SLC6A4,MAOA和GABRA2.2等.
- 通过神经活性联体受体相互作用和突触通路,SNS可以通过减少炎症,神经退行和神经元亡来缓解焦虑性失眠.
- 分子对接证实了关键化合物 (例如,异胺,β-醇) 具有核心点的稳定结合构造.
结论:
- 脑神经系统表现出一种多组合,多目标,多途径的机制来缓解与焦虑相关的睡眠障碍.
- 网络药理学和分子对接为SNS的抗焦虑和抗失眠作用提供了理论验证.
- 这项计算研究为未来对SNS疗效的实验研究奠定了基础.
相关概念视频
01:17Sedatives and Hypnotics Drugs: Miscellaneous Agents
157
Sedatives and hypnotics encompass a wide range of substances, each with its unique mechanism of action, uses, and potential adverse effects.
Melatonin congeners like ramelteon (Rozerem) and tasimelteon (Hetlioz) selectively bind to melatonin receptors (MT1 and MT2) and thus mimic the actions of melatonin, a hormone that regulates sleep-wake cycles. Tasimelteon is primarily used for non-24-hour sleep-wake disorder, common in blind patients. They are also used to treat conditions like insomnia...
Melatonin congeners like ramelteon (Rozerem) and tasimelteon (Hetlioz) selectively bind to melatonin receptors (MT1 and MT2) and thus mimic the actions of melatonin, a hormone that regulates sleep-wake cycles. Tasimelteon is primarily used for non-24-hour sleep-wake disorder, common in blind patients. They are also used to treat conditions like insomnia...
157
01:23Sedatives and Hypnotics: Overview
296
Sedatives are drugs that alleviate anxiety, while hypnotics induce sleep. Both classes of medication suppress neuronal activity, leading to a calming effect for sedatives and facilitating sleep for hypnotics.
Sedative-hypnotics are categorized into barbiturates, benzodiazepines (BZDs), and non-benzodiazepines or Z-drugs. These drugs work by suppressing central nervous system activity, and this suppression is dose-dependent. Older sedative medications, like barbiturates, follow a linear curve in...
Sedative-hypnotics are categorized into barbiturates, benzodiazepines (BZDs), and non-benzodiazepines or Z-drugs. These drugs work by suppressing central nervous system activity, and this suppression is dose-dependent. Older sedative medications, like barbiturates, follow a linear curve in...
296
01:19Management of Insomnia
235
The sleep cycle, an integral part of human health, consists of several stages with distinct characteristics and functions. It begins with a transition from wakefulness to sleep, known as the light sleep phase, followed by the restorative deep sleep phase, essential for physical recovery and growth. The cycle concludes with the Rapid Eye Movement (REM) phase, characterized by high brain activity and vivid dreaming. Insomnia, a prevalent sleep disorder, involves difficulty falling asleep, staying...
235
02:30siRNA - Small Interfering RNAs
16.6K
Small interfering RNAs, or siRNAs, are short regulatory RNA molecules that can silence genes post-transcriptionally, as well as the transcriptional level in some cases. siRNAs are important for protecting cells against viral infections and silencing transposable genetic elements.
In the cytoplasm, siRNA is processed from a double-stranded RNA, which comes from either endogenous DNA transcription or exogenous sources like a virus. This double-stranded RNA is then cleaved by the...
In the cytoplasm, siRNA is processed from a double-stranded RNA, which comes from either endogenous DNA transcription or exogenous sources like a virus. This double-stranded RNA is then cleaved by the...
16.6K
01:30Ligand-Gated Ion Channel Receptor: Gating Mechanism
2.2K
Ligand-gated ion channels are transmembrane proteins that play a vital role in intercellular communication and functions of the nervous system. They allow the influx of ions across the membrane once the neurotransmitter binds, allowing the subsequent transmission of electrical excitation across the neurons. Other ligand-gated ion channels, like the γ-aminobutyric acid (GABA) receptor, permit anions like chloride into the cells on the binding of the GABA molecule. Their entry into the cell...
2.2K
01:29Anxiolytic Drugs: Benzodiazepines and Buspirone
573
Benzodiazepines are a class of anxiolytic drugs known for their rapid efficacy and high therapeutic-to-lethal dose ratio, but with a potential risk of drug dependence. These drugs are lipophilic, allowing for rapid absorption after oral administration, eventually reaching the central nervous system (CNS). Once in the CNS, benzodiazepines bind to the allosteric site of the GABAA receptor. This binding enhances the inhibitory effects of the neurotransmitter GABA. By doing so, they prevent...
573