PDF(Pubmed)
Abstract：
OBJECTIVE: To elucidate the chemical profile of Xanthocerais lignum\'s extracts of different polarities and their impact on rheumatoid arthritis (RA), we identified anti-RA markers and predicted their action mechanisms.
METHODS: A collagen-induced arthritis rat model was established, and UPLC-Q-Exactive Orbitrap MS technology was employed to analyze and identify the chemical constituents within the alcohol extract of Xanthocerais lignum and its various extraction fractions, as well as their translocation into the bloodstream. Serum spectrum-effect correlation analysis was utilized to elucidate the pharmacodynamic material basis of Xanthocerais lignum against RA and to screen for Q-Markers. Finally, the potential anti-RA mechanisms of the Q-Markers were predicted through compound-target interaction data and validated using molecular docking techniques.
RESULTS: We identified 71 compounds, with flavan-3-ols and flavanones as key components. Of these, 36 were detected in the bloodstream, including 17 original and 19 metabolized forms. Proanthocyanidin A2, dihydroquercetin, catechin, and epicatechin (plus glucuronides) showed potential anti-RA activity. These compounds, acting as Q-Markers, may modulate ERK, NF-κB, HIF-1α, and VEGF in the HIF-1 pathway.
CONCLUSIONS: This research clarifies Xanthocerais lignum\'s pharmacodynamic material basis against RA, identifies 4 Q-Markers, and offers insights into their mechanisms, aiding quality assessment and lead compound development for RA treatment.
METHODS: A collagen-induced arthritis rat model was established, and UPLC-Q-Exactive Orbitrap MS technology was employed to analyze and identify the chemical constituents within the alcohol extract of Xanthocerais lignum and its various extraction fractions, as well as their translocation into the bloodstream. Serum spectrum-effect correlation analysis was utilized to elucidate the pharmacodynamic material basis of Xanthocerais lignum against RA and to screen for Q-Markers. Finally, the potential anti-RA mechanisms of the Q-Markers were predicted through compound-target interaction data and validated using molecular docking techniques.
RESULTS: We identified 71 compounds, with flavan-3-ols and flavanones as key components. Of these, 36 were detected in the bloodstream, including 17 original and 19 metabolized forms. Proanthocyanidin A2, dihydroquercetin, catechin, and epicatechin (plus glucuronides) showed potential anti-RA activity. These compounds, acting as Q-Markers, may modulate ERK, NF-κB, HIF-1α, and VEGF in the HIF-1 pathway.
CONCLUSIONS: This research clarifies Xanthocerais lignum\'s pharmacodynamic material basis against RA, identifies 4 Q-Markers, and offers insights into their mechanisms, aiding quality assessment and lead compound development for RA treatment.
摘要：
目的：阐明不同极性的木香提取物的化学特征及其对类风湿性关节炎（RA）的影响，我们鉴定了抗RA标志物并预测了它们的作用机制.
方法:建立胶原性关节炎大鼠模型,采用UPLC-Q-ExactiveOrbitrapMS技术对木香醇提物及其各种提取组分中的化学成分进行了分析和鉴定，以及它们转移到血液中。利用血清谱-效应相关分析阐明了黄草对RA的药效物质基础，并筛选了Q标记。最后,通过化合物-靶标相互作用数据预测了Q标记的潜在抗RA机制,并使用分子对接技术进行了验证.
结果：我们鉴定了71种化合物，以黄烷-3-醇和黄烷酮为主要成分。其中,在血液中检测到36例，包括17种原始形式和19种代谢形式。原花青素A2，二氢槲皮素，儿茶素,表儿茶素（加葡萄糖醛酸）显示出潜在的抗RA活性。这些化合物,充当Q标记，可能会调节ERK，NF-κB,HIF-1α,HIF-1通路中的VEGF。
结论：本研究阐明了黄参对RA的药效物质基础，识别4个Q标记，并提供了对其机制的见解，辅助RA治疗的质量评估和先导化合物开发。
方法:建立胶原性关节炎大鼠模型,采用UPLC-Q-ExactiveOrbitrapMS技术对木香醇提物及其各种提取组分中的化学成分进行了分析和鉴定，以及它们转移到血液中。利用血清谱-效应相关分析阐明了黄草对RA的药效物质基础，并筛选了Q标记。最后,通过化合物-靶标相互作用数据预测了Q标记的潜在抗RA机制,并使用分子对接技术进行了验证.
结果：我们鉴定了71种化合物，以黄烷-3-醇和黄烷酮为主要成分。其中,在血液中检测到36例，包括17种原始形式和19种代谢形式。原花青素A2，二氢槲皮素，儿茶素,表儿茶素（加葡萄糖醛酸）显示出潜在的抗RA活性。这些化合物,充当Q标记，可能会调节ERK，NF-κB,HIF-1α,HIF-1通路中的VEGF。
结论：本研究阐明了黄参对RA的药效物质基础，识别4个Q标记，并提供了对其机制的见解，辅助RA治疗的质量评估和先导化合物开发。
