小鼠三叉神经节和髓质背角的转录组分析以确定牙髓炎诱发疼痛的潜在靶点

IF 4.3 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Zhuo Yu, Xiaoning Kang, Jialin Si, Ruijing Ping, Xia Yan, Xiaoke Wu, Jing Huang* and Li-an Wu*, 
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引用次数: 0

摘要

牙髓炎是一种常见的口腔疾病,伴有剧烈疼痛,通常伴有睡眠障碍和焦虑样症状。目前还没有特定的镇痛药物可用于减轻牙髓炎引起的疼痛。在目前的研究中,我们应用转录组学对三叉神经节(TG)和髓质背角(MDH)进行了为期7天的生物信息学筛选,旨在识别关键的差异表达基因(DEGs)。我们确定了TG中的三个关键deg和MDH中的三个关键deg,它们主要参与与免疫反应、炎症反应和神经活性配体-受体相互作用相关的途径。通过虚拟筛选关键deg,确定潜在候选药物,然后进行分子对接和分子动力学分析。值得注意的是,编码mu-阿片受体的Oprm1在TG和MDH中均表现出显著的表达差异。进一步的虚拟筛选和分子动力学分析发现C13H10Cl3N7O3S2是最有希望的先导化合物,提示其可能是靶向Oprm1的有效药物分子,为后续的实验验证奠定基础。这一发现为针对Oprm1的疼痛管理提供了新的策略,并为开发新的治疗药物开辟了一条途径。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Transcriptome Analysis of Trigeminal Ganglion and Medullary Dorsal Horn in Mice to Identify Potential Targets for Pulpitis-Induced Pain

Pulpitis is a common oral disease associated with severe pain, which is often accompanied by sleep disturbances and anxiety-like symptoms. There is currently no specific analgesic medication available to alleviate pulpitis-induced pain. In the current study, we applied transcriptomics to conduct a bioinformatics screening of the trigeminal ganglion (TG) and the medullary dorsal horn (MDH) over a 7-day period of pulp exposure, aiming to identify key differentially expressed genes (DEGs). We identified three key DEGs in the TG and three in the MDH, which are primarily involved in pathways related to immune responses, inflammatory responses, and neuroactive ligand–receptor interactions. Potential drug candidates were pinpointed through virtual screening of key DEGs, followed by molecular docking and molecular dynamics analysis. Notably, Oprm1, which encodes the mu-opioid receptor, exhibited significant expression differences in both the TG and MDH. Further virtual screening and molecular dynamics analysis identified C13H10Cl3N7O3S2 as the most promising lead compound, suggesting that it may be an effective drug molecule targeting Oprm1, thus laying the foundation for subsequent experimental validation. This finding offers a new strategy for pain management targeting Oprm1 and opens up a pathway for the development of novel therapeutic drugs.

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来源期刊
ACS Omega
ACS Omega Chemical Engineering-General Chemical Engineering
CiteScore
6.60
自引率
4.90%
发文量
3945
审稿时长
2.4 months
期刊介绍: ACS Omega is an open-access global publication for scientific articles that describe new findings in chemistry and interfacing areas of science, without any perceived evaluation of immediate impact.
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