Journal of pharmaceutical and biomedical analysis最新文献_第7页

Integrated network pharmacology, metabolomics and molecular docking analysis to reveal the mechanisms of quercetin in the treatment of hyperlipidemia 综合网络药理学、代谢组学和分子对接分析，揭示槲皮素治疗高脂血症的机制。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-09 DOI: 10.1016/j.jpba.2024.116507

Tao Chen , Tongtong Wang , Yuanxiang Shi , Jun Deng , Xiao Yan , Chenbin Zhang , Xin Yin , Wen Liu

Hyperlipidemia (HLP) is a significant contributor to cardiovascular diseases. Quercetin (QUE), a naturally occurring flavonoid with diverse bioactivities, has garnered attention due to its potential therapeutic effects. However, the precise mechanisms underlying the effects of QUE on HLP remain unclear. In this study, an ultra-high-performance liquid chromatography-quadrupole/electrostatic field Orbitrap high-resolution mass spectrometry (UPLC-Q-Exactive-MS) metabolomics strategy was employed to obtain metabolite profiles, and potential biomarkers were identified following data analysis. Network pharmacology and Drug Affinity Responsive Target Stability (DARTS) assays were utilized to explore the potential targets of QUE for HLP treatment. The results of metabolomics and network pharmacology were then integrated to identify the key targets and metabolic pathways involved in the therapeutic action of the QUE against HLP. Molecular docking and experimental validation were performed to confirm these key targets. A comprehensive database search identified 138 QUE-HLP-related targets. A protein-protein interaction (PPI) network was constructed using STRING, and the shared targets were filtered with Cytoscape. Among these, AKT1, TNF, VEGFA, mTOR, SREBP1, and SCD emerged as potential therapeutic targets. These findings were validated using in vitro cell experiments. Additionally, the mechanism of action of QUE against HLP was evaluated by integrating network pharmacology with metabolomics, identifying two metabolomic pathways crucial to HLP treatment. DARTS experiments confirmed the stable binding of QUE to FASN, p-mTOR, SREBP1, and p-AKT. In HepG2 cells treated with palmitic acid (PA), QUE significantly reduced the mRNA expression of ACLY, ACACA, FASN, and SCD (p < 0.05). Western blot analysis revealed that PA significantly increased protein expression of p-mTOR, SREBP1, FASN, and p-AKT (p < 0.05). In summary, our study provides novel insights into the protective mechanisms of QUE against HLP and offers valuable information regarding its potential benefits in clinical treatment.

高脂血症（HLP）是心血管疾病的重要诱因。槲皮素（QUE）是一种天然黄酮类化合物，具有多种生物活性，因其潜在的治疗效果而备受关注。然而，槲皮素对 HLP 影响的确切机制仍不清楚。本研究采用了超高效液相色谱-四极杆/静电场 Orbitrap 高分辨率质谱（UPLC-Q-Exactive-MS）代谢组学策略来获得代谢物图谱，并在数据分析后确定了潜在的生物标志物。利用网络药理学和药物亲和力反应靶点稳定性（DARTS）测定来探索QUE治疗HLP的潜在靶点。然后综合代谢组学和网络药理学的结果，确定了 QUE 治疗 HLP 的关键靶点和代谢途径。分子对接和实验验证证实了这些关键靶点。通过全面的数据库搜索，确定了 138 个与 QUE-HLP 相关的靶点。使用 STRING 构建了一个蛋白-蛋白相互作用（PPI）网络，并使用 Cytoscape 过滤了共享靶点。其中，AKT1、TNF、VEGFA、mTOR、SREBP1 和 SCD 成为潜在的治疗靶点。体外细胞实验验证了这些发现。此外，通过将网络药理学与代谢组学相结合，评估了 QUE 对 HLP 的作用机制，确定了对 HLP 治疗至关重要的两条代谢组学通路。DARTS 实验证实了 QUE 与 FASN、p-mTOR、SREBP1 和 p-AKT 的稳定结合。在用棕榈酸（PA）处理的 HepG2 细胞中，QUE 显著降低了 ACLY、ACACA、FASN 和 SCD 的 mRNA 表达（p < 0.05）。Western 印迹分析显示，PA 能明显增加 p-mTOR、SREBP1、FASN 和 p-AKT 的蛋白表达（p < 0.05）。总之，我们的研究为QUE对HLP的保护机制提供了新的见解，并为其在临床治疗中的潜在益处提供了有价值的信息。

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引用次数: 0

Comparative profiling of the absorbed compounds and metabolites, and pharmacokinetic studies of Danshen-Chuanxiong herb pair in rat plasma and brain using liquid chromatography-tandem mass spectrometry 利用液相色谱-串联质谱法对大鼠血浆和脑中的丹参川芎药材对吸收化合物和代谢物进行比较分析和药代动力学研究

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-09 DOI: 10.1016/j.jpba.2024.116519

Jia-Xiu Guo , Yang Yang , Yong-Juan Zhao , Jian Wang , Hui Liu , Li Xu , Bing-Chun Yan , Han-Qing Pang

Danshen-Chuanxiong (DS-CX) was a classic herb pair commonly used to treat ischemic stroke. Nevertheless, the metabolic conversion and pharmacokinetic behavior of DS-CX in vivo remains unclear. This work aimed to reveal the in vivo metabolic behavior of DS-CX through establishing metabolic profiles and performing multicomponent pharmacokinetics analysis. The mass defect filtering (MDF) strategy integrated with UHPLC-QTOF-MS was firstly developed to characterize the metabolites of DS-CX in rats’ plasma and brain. Moreover, a sensitive UHPLC-QQQ-MS method was utilized to perform the comparative pharmacokinetic studies of major active ingredients of DS-CX in rats’ plasma. A total of 111 exogenous compounds (29 prototype compounds and 82 metabolites) were identified in rat biological samples. The major metabolic pathways were hydroxylation, methylation, deoxidation, dehydration, hydrogenation, demethylation, hydrolysis, decarboxylation and glucuronidation binding reactions. According to the results of metabolites profiling, sixteen active compounds (8 phenolic acids, 5 phthalides and 3 tanshinones) were selected as markers for further comparative pharmacokinetics study. Compared with the oral administration of DS or CX alone, the higher C_max of salvianolic acid B, crytotanshinone and tanshinone IIA; the shorter T_max of lithospermic acid, rosmarinic acid and tanshinone IIA; as well as the higher AUC_0−∞ of ferulic acid, rosmarinic acid, salvianolic acid B, senkyunolide I and crytotanshinone, could be found after co-administration of DS-CX (P < 0.05). This study provided the overall knowledge of metabolites profiling of DS-CX in vivo, which would help to understand the effective material basis and promote the clinical application of DC-CX herb pair.

丹参-川芎（DS-CX）是治疗缺血性中风的一副经典中药。然而，DS-CX 在体内的代谢转化和药代动力学行为仍不清楚。本研究旨在通过建立代谢轮廓和进行多组分药代动力学分析，揭示DS-CX在体内的代谢行为。首先开发了与超高效液相色谱-质谱联用（UHPLC-QTOF-MS）相结合的质量缺陷过滤（MDF）策略，以表征大鼠血浆和大脑中DS-CX的代谢物。此外，还利用灵敏的 UHPLC-QQQ-MS 方法对大鼠血浆中 DS-CX 的主要有效成分进行了药代动力学比较研究。在大鼠生物样本中总共鉴定出 111 种外源化合物（29 种原型化合物和 82 种代谢物）。主要代谢途径包括羟化、甲基化、脱氧、脱水、氢化、去甲基化、水解、脱羧和葡萄糖醛酸结合反应。根据代谢物分析结果，选择了 16 种活性化合物（8 种酚酸类化合物、5 种酞类化合物和 3 种丹参酮类化合物）作为进一步比较药代动力学研究的标记物。与单独口服 DS 或 CX 相比，联合口服 DS-CX 后，丹参酚酸 B、冰片丹参酮和丹参酮 IIA 的 Cmax 较高；石杉酸、迷迭香酸和丹参酮 IIA 的 Tmax 较短；阿魏酸、迷迭香酸、丹参酚酸 B、川芎内酯 I 和冰片丹参酮的 AUC0-∞ 较高（P < 0.05).该研究提供了DS-CX体内代谢物谱的整体知识，有助于了解DC-CX药材配伍的有效物质基础，促进DC-CX药材配伍的临床应用。

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引用次数: 0

A two‑sample Mendelian randomization study of lipidome and lung cancer 脂质体与肺癌的双样本孟德尔随机研究

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-09 DOI: 10.1016/j.jpba.2024.116514

Zhang Fan

We analyzed the potential relationship between liposomes and lung cancer risk for the first time using MR analysis methods. The results showed that sterol ester, phosphatidylcholine, phosphatidylethanolamine, phosphatidylinositol, sphingomyelin, and triacylglycerol may affect lung cancer risk. However, molecules with different fatty acid compositions also affect lung cancer risk differently. These results may help researchers discover more mechanisms by which lipid metabolism disorders support lung cancer growth and potential targets of lipid metabolism, giving more theoretical support to lung cancer therapeutic approaches that target lipid metabolic pathways.

我们首次使用磁共振分析方法分析了脂质体与肺癌风险之间的潜在关系。结果显示，固醇酯、磷脂酰胆碱、磷脂酰乙醇胺、磷脂酰肌醇、鞘磷脂和三酰甘油可能会影响肺癌风险。然而，脂肪酸组成不同的分子对肺癌风险的影响也不同。这些结果可能有助于研究人员发现脂质代谢紊乱支持肺癌生长的更多机制以及脂质代谢的潜在靶点，从而为针对脂质代谢途径的肺癌治疗方法提供更多理论支持。

引用次数: 0

A novel application of hydrophilic interaction liquid chromatography for the identification of compounds with intramolecular hydrogen bonds 亲水相互作用液相色谱在鉴定分子内氢键化合物中的新应用

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-09 DOI: 10.1016/j.jpba.2024.116499

Alessandra Pugliano, Bernd Kuhn, Nenad Manevski, Björn Wagner, Matthias Beat Wittwer

The incorporation of intramolecular hydrogen bonds (IMHB) into small molecules constitutes an interesting optimization strategy to afford potential drug candidates with enhanced solubility as well as permeability and consequently improved bioavailability (if metabolic stability is high). Common methods to assess IMHB rely on spectroscopic or diffraction techniques, which, however, have limited throughput when screening for hit compounds in early phases of drug discovery. Inspired by literature findings using supercritical fluid chromatography (SFC) as an indirect method for IMHB identification in a screening context, we aimed at developing a secondary chromatographic methodology taking advantage of commonly used HPLC-MS instrumentation. In this work, we explored hydrophilic interaction liquid chromatography (HILIC) and developed a method for discriminating compounds based on their hydrogen bonding features. By quantifying retention of different matched molecular pairs (MMP) and using information about their low energy conformations from quantum-mechanical calculations, we defined a hydrogen bonding-driven adsorption (k_ads) chromatographic parameter to assess a compound’s propensity to forming IMHB. In addition to the MMP analysis, we found that the k_ads parameter allows for the differentiation of analytes forming IMHB regardless of the comparison with control compounds.

在小分子中加入分子内氢键（IMHB）是一种有趣的优化策略，可以提高潜在候选药物的溶解度和渗透性，从而提高生物利用率（如果代谢稳定性较高）。评估 IMHB 的常用方法依赖于光谱或衍射技术，但在药物发现的早期阶段筛选热门化合物时，这些方法的通量有限。受超临界流体色谱 (SFC) 作为一种间接方法用于筛选鉴定 IMHB 的文献研究结果的启发，我们旨在利用常用的 HPLC-MS 仪器开发一种二级色谱方法。在这项工作中，我们探索了亲水相互作用液相色谱 (HILIC)，并开发了一种基于氢键特征的化合物鉴别方法。通过量化不同匹配分子对（MMP）的保留，并利用量子力学计算得出的低能构象信息，我们定义了氢键驱动吸附（kads）色谱参数，以评估化合物形成 IMHB 的倾向。除了 MMP 分析之外，我们还发现 kads 参数可以区分形成 IMHB 的分析物，而无需与对照化合物进行比较。

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引用次数: 0

Integrated metabolomics and gut microbiota analysis to explore potential mechanism of Qi-Huo-Yi-Fei formula against chronic obstructive pulmonary disease 综合代谢组学和肠道微生物群分析探索芪藿益肺方防治慢性阻塞性肺病的潜在机制

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-08 DOI: 10.1016/j.jpba.2024.116511

Miaomiao Di , Fangbing Niu , Peng Yang , Shuting Zheng , Bingyang Yang , Qingling Xiao , Hong Shen , Shanshan Zhou , Songlin Li , Yeqing Zhang , Fang Long

Metabolic disorders and gut microbiota dysbiosis contribute to the complicated pathology of chronic obstructive pulmonary disease (COPD). Qi-Huo-Yi-Fei formula (QHYFF) is a Chinese medicine prescription for COPD treatment and has showed beneficial clinical effects, but the underlying mechanism remains elusive. This study integrated metabolomics and gut microbiota analysis to explore potential mechanism of QHYFF against COPD. The therapeutic effects of QHYFF were evaluated using a murine model of COPD induced by cigarette smoke and lipopolysaccharide. QHYFF effectively improved pulmonary function, suppressed inflammation, and relieved lung pathological changes. Serum and urine metabolomics analysis identified 19 differential metabolites, such as L-tyrosine, epinephrine, dopamine, hypotaurine, citric acid, L-tryptophan and indoleacrylic acid, involving tyrosine metabolism, taurine and hypotaurine metabolism, citrate cycle and tryptophan metabolism. QHYFF also enriched Bifidobacterium, Blautia, Faecalibaculum and Parasutterella. Moreover, Spearman’s correlation analysis showed that discriminative metabolites and bacteria were closely correlated with efficacy indices. The findings indicated that QHYFF could be an effective therapeutic measure against COPD by regulating metabolism and gut microbiota.

代谢紊乱和肠道微生物群失调是慢性阻塞性肺疾病（COPD）复杂病理的重要原因。芪藿益肺方（QHYFF）是治疗慢性阻塞性肺疾病的中药方剂，具有良好的临床疗效，但其潜在机制仍不明确。本研究结合代谢组学和肠道微生物群分析，探索芪藿益肺方治疗慢性阻塞性肺病的潜在机制。研究利用香烟烟雾和脂多糖诱导的慢性阻塞性肺病小鼠模型评估了 QHYFF 的治疗效果。结果表明，QHYFF能有效改善肺功能，抑制炎症反应，缓解肺部病理变化。血清和尿液代谢组学分析发现了19种差异代谢物，如L-酪氨酸、肾上腺素、多巴胺、低牛磺酸、柠檬酸、L-色氨酸和吲哚丙烯酸，涉及酪氨酸代谢、牛磺酸和低牛磺酸代谢、柠檬酸循环和色氨酸代谢。QHYFF 还富集了双歧杆菌、布劳氏菌、粪杆菌和伞菌。此外，斯皮尔曼相关分析表明，鉴别代谢物和细菌与功效指数密切相关。研究结果表明，QHYFF 可以通过调节代谢和肠道微生物群来有效治疗慢性阻塞性肺病。

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引用次数: 0

Comprehensive quality evaluation of dried boletus slices based on fingerprinting and chemometrics 基于指纹图谱和化学计量学的牛肝菌干片综合质量评价。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-06 DOI: 10.1016/j.jpba.2024.116505

Zhiyi Ji , Honggao Liu , Jieqing Li , Yuanzhong Wang

Mushrooms not only serve as a source of a wide range of nutrients in the structure of the human diet, but they have also received a great deal of attention in the field of biopharmaceuticals because of their wide range of medicinal benefits. Rapid quality certification of boletus (porcini) mushrooms is particularly important as a health food and as a potential source of medicines before purchase and production. Infrared (IR) spectroscopy is commonly used for rapid qualitative and quantitative analyses of foods and herbs. The Ultra Performance Liquid Chromatography (UPLC) combined with systematic fingerprinting quantification was used to analyze the quality consistency of Boletus edulis (B. edulis) from different geographic sources, and a method based on Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy combined with chemometrics for origin traceability and rapid prediction of nucleoside quality marker content of B. edulis dried slices was developed with the aim of achieving rapid, lossless, high-throughput and green quality authentication of raw materials for pharmaceutical products.

蘑菇不仅是人类饮食结构中多种营养物质的来源，还因其广泛的药用价值而在生物制药领域备受关注。牛肝菌作为一种健康食品和潜在的药物来源，在采购和生产前对其进行快速质量认证尤为重要。红外（IR）光谱通常用于食品和药材的快速定性和定量分析。本研究采用超高效液相色谱法（UPLC）结合系统指纹定量法分析不同地理来源的牛肝菌（B. edulis）的质量一致性，并采用衰减全反射傅立叶变换红外光谱法（ATR-FTIR）结合化学计量学法进行产地溯源，快速预测牛肝菌（B. edulis）干片中核苷质量标记物的含量。本研究开发了一种基于衰减全反射傅立叶变换红外光谱（ATR-FTIR）并结合化学计量学的方法，用于溯源和快速预测蚕豆干切片中核苷质量标记物的含量，旨在实现快速、无损、高通量和绿色的药品原料质量认证。

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引用次数: 0

Nonclinical immunogenicity assessment of E3112, a recombinant human hepatocyte growth factor, and its impact on pharmacokinetics in rats and monkeys 重组人肝细胞生长因子 E3112 的非临床免疫原性评估及其对大鼠和猴子药代动力学的影响。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-05 DOI: 10.1016/j.jpba.2024.116504

Muneo Aoyama , Yuji Mano

E3112 is a recombinant human hepatocyte growth factor currently in development for the treatment of acute liver failure. The assessment of immunogenicity is crucial in the development of biotherapeutics. Consequently, a semi-quantitative assay of anti-drug antibody (ADA) was developed in rat and monkey serum using a ligand binding assay with electrochemiluminescence detection. A standard tiered approach was employed for the immunogenicity assessment, comprising a screening assay and a subsequent confirmatory assay. In the assay validation studies, selectivity, sensitivity, prozone effects, reproducibility, drug tolerance, and stability were evaluated. These assessments were conducted using a surrogate positive control of ADA. The accuracy and precision of the surrogate ADA were within ± 20 % and 20 %, respectively. The stability of ADA was also confirmed under a variety of conditions. The developed assays were successfully employed for the assessment of immunogenicity in rats and monkeys following the administration of a repeated dose of E3112. The administration of E3112 resulted in an increase in ADA levels, with higher levels observed in rats than in monkeys. Systemic exposures of E3112 in rats with higher ADA levels were lower than those with lower ADA, confirming the utility of nonclinical immunogenicity in interpreting pharmacokinetics and its inter-individual variability.

E3112 是一种重组人肝细胞生长因子，目前正在开发用于治疗急性肝衰竭。免疫原性评估对生物治疗药物的开发至关重要。因此，我们开发了一种半定量检测大鼠和猴子血清中抗药物抗体（ADA）的方法，该方法采用配体结合检测法和电化学发光检测法。免疫原性评估采用了标准的分层方法，包括筛选测定和随后的确证测定。在化验验证研究中，对选择性、敏感性、原区效应、可重复性、药物耐受性和稳定性进行了评估。这些评估是使用 ADA 的替代阳性对照物进行的。代用品 ADA 的准确度和精密度分别在 ± 20 % 和 20 % 的范围内。ADA 的稳定性也在各种条件下得到了证实。在大鼠和猴子重复给药 E3112 后，成功地利用所开发的检测方法评估了免疫原性。服用 E3112 会导致 ADA 水平升高，在大鼠体内观察到的 ADA 水平高于在猴子体内观察到的 ADA 水平。ADA 水平较高的大鼠对 E3112 的全身暴露量低于 ADA 水平较低的大鼠，这证实了非临床免疫原性在解释药代动力学及其个体间变异性方面的实用性。

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引用次数: 0

Metabolomics analysis of (Geo)propolis from Brazilian stingless bees by FIA and UHPLC-HRMS (Orbitrap) 利用 FIA 和超高效液相色谱-质谱联用仪（Orbitrap）对巴西无刺蜂的（Geo）蜂胶进行代谢组学分析。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-05 DOI: 10.1016/j.jpba.2024.116497

João Fábio Turco , João Benhur Mokochinski , Yohandra Reyes Torres

Native stingless bees (Meliponini) from Brazil make (geo)propolis which is largely used in folk medicine, specially by indigenous and quilombos communities and beekeepers´ families but are progressively being recognized for their pharmacological activities. In this study, the ethanolic extracts of (geo)propolis (EEGs) from Melipona marginata, M. quadrifasciata, M. scutellaris, and Tetragonisca angustula were analysed by Flow injection analysis (FIA) and Ultra-high performance liquid chromatography (UHPLC) in a high resolution Orbitrap mass analyser (HRMS) to investigate and compare their chemical profile. Untargeted metabolomic approach based on UHPLC-HRMS experiments, and bioinformatic tools, allowed to annotate 59 compounds from diverse classes such as: flavonoids, phenolic compounds, sugars, terpenoids, and lipids. In addition, using multivariate tools and Flow injection- high resolution mass spectrometry (FIA-HRMS), it was possible to classify samples and identify marker ions related to the bee species or genus and to the geographical origin as a proof of concept.

巴西本地无刺蜜蜂（Meliponini）制造的（geo）蜂胶主要用于民间医药，特别是土著和前逃亡黑奴社区以及养蜂人家庭，但其药理活性正逐步得到认可。本研究采用流式进样分析法（FIA）和超高效液相色谱法（UHPLC），在高分辨率 Orbitrap 质量分析仪（HRMS）上对 Melipona marginata、M. quadrifasciata、M. scutellaris 和 Tetragonisca angustula 的（地）蜂胶乙醇提取物（EEGs）进行了分析，以研究和比较其化学特征。基于超高效液相色谱-HRMS 实验和生物信息学工具的非靶向代谢组学方法，可注释出 59 种不同类别的化合物，如类黄酮、酚类化合物、糖类、萜类化合物和脂类。此外，利用多元工具和流动注射-高分辨质谱法（FIA-HRMS），可以对样品进行分类，并识别与蜜蜂种类或属以及地理来源有关的标记离子，以此作为概念验证。

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引用次数: 0

A study of the association of vitamin D receptor (VDR) as a predictive biomarker for immune checkpoint inhibitor therapy with immune invasion in colon adenocarcinoma 维生素 D 受体 (VDR) 作为免疫检查点抑制剂疗法的预测性生物标记物与结肠腺癌免疫侵袭的关联性研究。

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-05 DOI: 10.1016/j.jpba.2024.116510

Guanqun Chao , Ailing Lin , Yang Bao

Colon adenocarcinoma(COAD) is a primary and aggressive malignancy with the fifth highest mortality rate among cancers, and it is important to discover new strategies. The online database was used to analyze the correlation between Vitamin D receptor (VDR) and COAD, and further explore the immune infiltration and related gene networks.The expression and methylation levels of VDR was analyzed by using Timer database, GEPIA platform and UALCAN database. GeneMANIA database was used to analyze and obtain gene networks that are closely linked to VDR. UALCAN database was used to score the gene effects of VDR in colorectal cancer cell lines. The cBioPortal database was used for the detection of gene mutations. The survival curve analysis was carried out using the GEPIA database. The relationship between VDR expression and immune cell infiltration was analyzed by using the timer database and TISIDB database. TISIDB database was used to obtain VDR-related drug targets.The expression of VDR was significantly lower in COAD(p<0.05). The methylation level of VDR was significantly higher in COAD (p<0.05). The gene mutation rate of VDR in COAD was 2 %. OS and DFS were not associated with changes in the VDR gene in patients with COAD. VDR expression was correlated with CD4+T cell infiltration, macrophage infiltration, neutrophil infiltration, and dendritic cell infiltration. VDR has a clear correlation with ADORA2A, BTLA, CD160, CD244, CD274, CD96, CSF1R, CTLA4, HAVCR2, IL10, IDO1, LAG3, LGALS9, PDCD1, PDCD1LG2, PVRL2, TGFB1, TGFBR1, TIGIT and VTCN1.The expression of VDR is associated with immune infiltration in patients with COAD. VDR may be a new candidate biomarker for determining the level of immune infiltration and predicting immune checkpoint inhibitor therapy.

结肠腺癌（COAD）是一种原发性和侵袭性恶性肿瘤，死亡率在癌症中排名第五，因此探索新的策略非常重要。本研究利用在线数据库分析了维生素D受体（VDR）与COAD的相关性，并进一步探讨了免疫浸润及相关基因网络。GeneMANIA数据库用于分析和获取与VDR密切相关的基因网络。UALCAN 数据库用于对结直肠癌细胞系中 VDR 的基因效应进行评分。cBioPortal 数据库用于检测基因突变。使用 GEPIA 数据库进行生存曲线分析。利用 Timer 数据库和 TISIDB 数据库分析了 VDR 表达与免疫细胞浸润之间的关系。TISIDB数据库用于获取VDR相关的药物靶点。

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引用次数: 0

Chemical profiling and comparative analysis of different parts of Asarum heterotropoides using SPME-GC-QTOF-MS and LC- Orbitrap -MS 利用 SPME-GC-QTOF-MS 和 LC- Orbitrap -MS 对异根藜不同部位进行化学特征描述和比较分析

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis

Pub Date : 2024-10-03 DOI: 10.1016/j.jpba.2024.116502

Yun-shu Hu , Jian-qing Zhang , Meng Xu , Huan-ya Yang , Chun-xiang Liu , Yun Li , Qi-rui Bi , Yang Yang , Qin-hua Chen , De-an Guo

Asari radix et rhizoma is the sole plant from the Aristolochiaceae family officially sanctioned for medicinal in China, primarily employed for treating colds and headaches, and is widely utilized in clinical practice. Initially, the entire plant was specified for medicinal use, but since 2005, the authorized part has been restricted to the roots and rhizomes. The chemical constituents are directly linked to its efficacy and safety, yet a comparative analysis of the chemical profiles between the overground and underground parts has not been reported. This paper represents the first comparative study of the chemical constituents in the two parts, achieved through the synergistic application of solid phase micro extraction coupled with gas chromatography mass spectrometry (SPME-GC-MS) and liquid chromatography Orbitrap MS (LC-Orbitrap-MS). Using SPME-GC-MS, 51 constituents were identified from both parts, with 89 % being shared components, indicating a close similarity in their volatile compositions. Through LC-Orbitrap-MS, 308 constituents were identified, sharing 76 % commonality, revealing a more pronounced disparity in non-volatile components. Plant metabolomics screening pinpointed 8 volatile and 14 non-volatile components capable of distinguishing the two parts, with the latter being more stable and thus better suited as markers for differentiation. This research furnishes a scientific rationale for selecting distinct parts of Asari radix et rhizoma and for implementing monitoring strategies in clinical application.

马兜铃根及根茎是马兜铃科植物中唯一被中国官方认可的药用植物，主要用于治疗感冒和头痛，在临床上应用广泛。最初，整个植物都被指定为药用植物，但自 2005 年起，授权部分仅限于根和根茎。其化学成分与药效和安全性直接相关，但对地上部分和地下部分化学成分的比较分析尚未见报道。本文首次通过固相微萃取-气相色谱-质谱联用技术（SPME-GC-MS）和液相色谱-轨道阱质谱联用技术（LC-Orbitrap-MS）的协同应用，对两部分的化学成分进行了比较研究。通过 SPME-GC-MS 方法，从两个部分中鉴定出 51 种成分，其中 89% 为共有成分，这表明它们的挥发性成分非常相似。通过液相色谱-轨道阱质谱（LC-Orbitrap-MS），鉴定出 308 种成分，其中 76% 为共有成分，非挥发性成分的差异更为明显。通过植物代谢组学筛选，确定了 8 种挥发性成分和 14 种非挥发性成分能够区分这两个部分，其中非挥发性成分更加稳定，因此更适合作为区分的标志物。这项研究为选择阿莎瑞草的不同部分以及在临床应用中实施监测策略提供了科学依据。

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引用次数: 0