MICROCHEMICAL JOURNAL
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2024
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IF 4.9
Guanghou Wang,Xueqian Tang,Feixu Qin,Hongjin Wang,Hao Zhang,Hanyue Li,Lan Wei,Lixin Sun
Nauclea officinalis ( N. officinalis ), a medicinal plant of the genus Nauclea in the Rubiaceae family, is used to treat bronchitis, pneumonia and acute tonsillitis and enteritis in China. Extracts of N. officinalis include more than 60 alkaloids, which exert all kinds of pharmacological effects, such as antiproliferative, antiparasitic, antimicrobial, anticancer, and anti-inflammatory activities. In this study, an affinity ultrafiltration and high-performance liquid chromatography- tandem mass spectrometry (AUF-LC-MS/MS) approach was constructed and validated, and was applied to rapidly screen COX-2/5-LOX inhibitors in N. officinalis extracts (NOE). To gain a more comprehensive and profound understanding of the anti-inflammatory mechanism of N. officinalis . Central Composite Design (CCD) of Response Surface Method (RSM) was used to optimize extraction conditions for potential COX-2/5-LOX inhibitors from NOE. Next, COX-2/5-LOX dual targeted inhibitors were screened from NOE using AUF-LC-MS/MS, and the biological activity of the screened ligands was demonstrated by enzyme inhibition assay. Finally, the preferred binding modes for these COX-2/5-LOX inhibitors were then determined by molecular docking, and compared with active drugs celecoxib and zileuton, respectively, to further explore ligand active binding sites and intersections between ligands and target proteins. The optimum extraction conditions were follows: ethanol concentration of 79 %, liquid − solid ratio of 11.8 v / w and extraction time of 1.8 h. The results of COX-2 inhibition assay showed that angustine (AU) had the more stronger inhibition activity with an IC 50 of 20.49 μM, followed with IC 50 of angustidine (AD) and nauclefine (NF) were 35.89 and 60.45 μM, respectively. Among the three components, AU also exhibited the highest inhibition of 5-LOX with an IC 50 of 1.18 μM, followed by NF and AD at 2.75 and 4.35 μM, respectively. Owing to the synergistic effect of multiple components make NOE exhibit strong inhibitory activity, it is shown potent inhibitory activities with an IC 50 at 9.47 and 6.16 μg/mL for COX-2 and 5-LOX, respectively. This work has demonstrated that NF, AD, and AU are potential COX-2/5-LOX dual-target inhibitors, indicating that N. officinalis anti-inflammatory activities were partially based on these COX-2/5-LOX inhibitors. These research results can also be further used for developed or improved anti-inflammatory agents with more beneficial effects.
研究领域:
药理学
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药物化学
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植物科学
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分析化学
✓ 已验证
产品关联
DOI
高影响因子
Natural Product Communications
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2026
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IF 1.5
Xueying Lin,Guifei Chen,Zixiao Jiang,Dandan Chen,Sakda Daduang,Arunrat Chaveerach,Yangyang Liu
ObjectiveTo comprehensively investigate the chemical composition and potential anti-inflammatory mechanisms of Nauclea officinalis in the management of chronic pneumonia.MethodsUntargeted metabolomics was used to identify the chemical constituents of aqueous and ethanol extracts of N. officinalis. Network pharmacology and KEGG pathway enrichment analyses were performed to predict potential targets and signaling pathways associated with its anti-inflammatory activity. Molecular docking was conducted to evaluate the binding potential between representative bioactive compounds and core inflammation-related targets. In addition, an LPS-induced RAW264.7 macrophage inflammatory model was established to validate the anti-inflammatory effects of the extracts in vitro.ResultsA total of 420 chemical compounds were identified from the aqueous and ethanol extracts of N. officinalis, among which flavonoids and alkaloids were the predominant active components. Network pharmacology combined with KEGG enrichment analysis indicated that N. officinalis may exert anti-inflammatory effects through multiple targets and pathways, particularly cytokine-cytokine receptor interaction, PI3K-AKT, MAPK, NF-κB, and AGE-RAGE signaling pathways. Molecular docking suggested favorable binding between representative bioactive compounds and key inflammation-related targets, including STAT3, AKT1, IL-6, and TNF, providing supportive evidence for possible compound-target interactions. In vitro experiments showed that both aqueous and ethanol extracts of N. officinalis significantly suppressed the secretion of pro-inflammatory cytokines in LPS-stimulated RAW264.7 macrophages. Although this model represents acute inflammatory stimulation, it reflects inflammatory responses relevant to chronic pulmonary inflammatory disorders and thus provides supportive evidence for the anti-inflammatory potential of N. officinalis in chronic pneumonia.ConclusionNauclea officinalis contains multiple bioactive compounds and may exert anti-inflammatory effects through multi-target and multi-pathway mechanisms. These findings provide preliminary evidence supporting its potential role in the treatment of chronic pneumonia. Further in vivo pharmacodynamic studies are needed to confirm these effects and facilitate its clinical translation.
✓ 已验证
DOI
高影响因子
Journal of Analytical Methods in Chemistry
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2022
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IF 2.594
Yuhuang Wu,Liyan Li,Guxu Ming,Xinyue Ma,Changfu Liang,Yonghui Li,Xiaoning He
A rapid, sensitive, selective, and accurate HPLC–MS/MS method was developed and validated for the simultaneous determination of chlorogenic acid, naucleactonin C, khaephuoside A 3,4-dimethoxyphenyl-1-O-β-apiofuroseyl(1 ⟶ 2)-β-D-glucopyranoside in rat plasma and tissues after oral administration of Nauclea officinalis extracts. Chloramphenicol was used as an internal standard (IS). The plasma and tissue samples were extracted by protein precipitation with methanol-ethyl acetate (1 : 1, v/v) including 0.1% (v/v) formic acid. The chromatographic separation was achieved by using an C18 column with gradient elution using mobile phase, which consisted of 0.1% formic acid water (A) and acetonitrile (B) and the flow rate of 0.8 mL/min. Mass spectrometric detection was performed in multiple reaction monitoring (MRM) mode utilizing electrospray ionization (ESI) in negative mode. The developed method exhibited good linearity (determination coefficients, R2 ≥ 0.9849), and the lower limits of quantification were 2, 5, 5, and 25 ng/mL for chlorogenic acid, naucleactonin C, khaephuoside A, and 3,4-dimethoxyphenyl-1-O-β-apiofuroseyl(1 ⟶ 2)-β-D-glucopyranoside. The intraday and interday precisions (relative standard deviation, RSD) were less than 12.65%, while the accuracy was ranged from 86.31 to 114.17%. The recovery rate were 51.85–97.06%, 75.99–106.68%, 77.46–105.35%, and 68.36–103.75% for chlorogenic acid, naucleactonin C, khaephuoside A, and 3,4-dimethoxyphenyl-1-O-β-apiofuroseyl(1 ⟶ 2)-β-D-glucopyranoside the matrix effects were 50.17–116.62%, 86.75–115.99%, 45.79–87.44%, and 51.60–92.34% for chlorogenic acid, naucleactonin C, khaephuoside A, and 3,4-dimethoxyphenyl-1-O-β-apiofuroseyl(1 ⟶ 2)-β-D-glucopyranoside in different matrix. The developed method was successfully applied to a pharmacokinetic study and tissue distribution of four compounds in rats after oral administration of Nauclea officinalis extracts.
研究领域:
药理学
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分析化学
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中药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）