Chinese Journal of Analytical Chemistry最新文献_第7页

A molecular beacon detects CLDN18.2 for precision medicine in gastric cancer 分子信标检测CLDN18.2在胃癌精准医疗中的应用

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-12-01 DOI: 10.1016/j.cjac.2024.100452

Jieyuan CAI , Xiaoyi CHONG , Linyang FAN , Qin LI , Xiaotian ZHANG

{"title":"A molecular beacon detects CLDN18.2 for precision medicine in gastric cancer","authors":"Jieyuan CAI , Xiaoyi CHONG , Linyang FAN , Qin LI , Xiaotian ZHANG","doi":"10.1016/j.cjac.2024.100452","DOIUrl":"10.1016/j.cjac.2024.100452","url":null,"abstract":"<div><h3>Purpose</h3><div>CLDN18.2 has emerged as a promising therapeutic target for gastric cancer (GC). However, conventional CLDN18.2 diagnosis based on immunohistochemistry (IHC) has limits due to its dependency of biopsy sample and biases from experiments and pathologists. To address this, we propose using a molecular beacon (MB) to detect CLDN18.2 RNA of circulating tumor cells (CTCs), which can be applied in clinical practice as a supplementary diagnostic method.</div></div><div><h3>Methods</h3><div>We constructed an easily prepared and cost-effective DNA MB to detect CLDN18.2 RNA. Afterwards, we verified the function of semi quantification of CLDN18.2 RNA by fluorescence signal of the MB. We then evaluated CLDN18.2 RNA levels in the CTCs of three patients, which was compared with tissue expression using IHC.</div></div><div><h3>Results</h3><div>Our results show that this technique has excellent sensitivity and specificity, making it suitable for application in platforms with CTCs. We found consistent results between CLDN18.2 RNA from CTCs and tissue expression levels in three patients. This demonstrates the potential of the CLDN18.2 MB method in accurately detecting CLDN18.2 in clinical practice.</div></div><div><h3>Conclusions</h3><div>The CLDN18.2 MB holds significant promise for various clinical applications in patients with GC, including complementary diagnostics, drug adaptability testing, and disease progression evaluation.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 12","pages":"Article 100452"},"PeriodicalIF":1.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Regulation of PPARγ/RXRα signaling pathway by Huaji Jianpi decoction in the prevention and treatment of simple obesity 化机健脾汤防治单纯性肥胖对PPARγ/RXRα信号通路的调节作用

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-12-01 DOI: 10.1016/j.cjac.2024.100466

Xuefeng REN , Jinghui ZHANG , Hongwei XIANG , Qing ZHOU , Shaoqin GE , Huiling XUE

{"title":"Regulation of PPARγ/RXRα signaling pathway by Huaji Jianpi decoction in the prevention and treatment of simple obesity","authors":"Xuefeng REN , Jinghui ZHANG , Hongwei XIANG , Qing ZHOU , Shaoqin GE , Huiling XUE","doi":"10.1016/j.cjac.2024.100466","DOIUrl":"10.1016/j.cjac.2024.100466","url":null,"abstract":"<div><h3>Introduction</h3><div>Simple obesity is a common metabolic disease, which threatens human health. Huaji Jianpi Decoction (HJJPD), as a compound of traditional Chinese medicine, has significant advantages in the treatment of simple obesity, but its specific mechanism is still unclear. This paper was designed to explore the mechanism of HJJPD to exert weight loss effect by affecting PPARγ/RXRα signaling pathway through network pharmacology and animal experiments.</div></div><div><h3>Methods</h3><div>The network pharmacology method was used to construct the chemical component-target network of HJJPD. The key targets of HJJPD on PPARγ/RXRα signaling pathway were identified by protein interaction (PPI) network and enrichment analysis. Animal experiments were used to evaluate the efficacy of HJJPD in treating simple obesity.</div></div><div><h3>Results</h3><div>A total of 115 active components and 280 targets were identified. 102 targets related to signal pathway were retrieved from STRING database. 23 intersection targets were obtained by Venn diagram visualization analysis. 11 key targets were obtained by the evaluation of network topology parameters. Animal experiments show that HJJPD could reduce the body weight of mice, Lee’s index, blood lipids, inhibit inflammatory factors, and improve the lipid accumulation of liver. Moreover, HJJPD could significantly regulate the mRNA and proteins expression levels of PPARγ, RXRα, and ADIPOQ.</div></div><div><h3>Conclusion</h3><div>HJJPD can prevent and treat simple obesity, repair liver structure and reduce inflammation <em>in vivo</em> by regulating PPARγ/RXRα signaling pathway.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 12","pages":"Article 100466"},"PeriodicalIF":1.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143137423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Corrigendum to “A pilot study on the mechanism of Guasha in treating Parkinson's disease based on molecular level and ultra-trace proteomics analysis” [Chinese Journal of Analytical Chemistry 52 (2024) 1–14/100402] 基于分子水平和超痕量蛋白质组学分析的刮痧治疗帕金森病机制的试验研究》[《中国分析化学杂志》52 (2024) 1-14/100402] 勘误表

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-25 DOI: 10.1016/j.cjac.2024.100455

Qiuqin WANG , Li ZHANG , Heng WENG , Qing WANG , Penglu CHEN , Hua CHEN , Rongrong JIANG , Guihua XU , Yamei BAI , Xi CHEN

引用次数: 0

A highly selective and sensitive carbazole-based fluorescent probe for peroxynitrite detection and cellular imaging 一种高选择性、高灵敏度的咔唑基荧光探针，用于过亚硝酸盐检测和细胞成像

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100456

Said ALAM , Linchuan LU , Xuanzuo TAO , Yanxia MAO , Shaojun ZHENG , Chunhui JIANG , Shu-Yang CHEN , Hongfei LU

{"title":"A highly selective and sensitive carbazole-based fluorescent probe for peroxynitrite detection and cellular imaging","authors":"Said ALAM , Linchuan LU , Xuanzuo TAO , Yanxia MAO , Shaojun ZHENG , Chunhui JIANG , Shu-Yang CHEN , Hongfei LU","doi":"10.1016/j.cjac.2024.100456","DOIUrl":"10.1016/j.cjac.2024.100456","url":null,"abstract":"<div><div>Peroxynitrite, a colorless and odorless reactive nitrogen species, plays a critical role in various physiological processes within biological systems. Therefore, developing a reliable method for quantitative detection of peroxynitrite in living systems is essential. In this study, we synthesized a simple, two-step, reaction-based fluorescent probe, designated as <strong>EHMC</strong>, specifically for peroxynitrite detection. The synthesis involved the use of 4-(9-phenyl-9H-carbazol-3-yl)benzaldehyde as the fluorophore and 2-hydrazineylpyridine as the recognition group, both of which exhibit inherently weak fluorescence. Upon oxidation of the C = N bond by peroxynitrite, <strong>EHMC</strong> undergoes conversion into an aldehyde, resulting in a significant fluorescence response. <strong>EHMC</strong> demonstrated high selectivity and sensitivity, achieving a detection limit of 5.43 µM under physiological conditions. Additionally, <strong>EHMC</strong> was successfully applied to HeLa cellular models, where it exhibited excellent cellular imaging capability for peroxynitrite detection in living systems.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100456"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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A flexible electrochemical sensor based on AuBi bimetal for detection of Cd ions in packaged drinking water 基于金铋双金属的柔性电化学传感器，用于检测包装饮用水中的镉离子

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100457

Mei WANG , Fang LIU , Yingkuan SUN , Liying JIANG

{"title":"A flexible electrochemical sensor based on AuBi bimetal for detection of Cd ions in packaged drinking water","authors":"Mei WANG , Fang LIU , Yingkuan SUN , Liying JIANG","doi":"10.1016/j.cjac.2024.100457","DOIUrl":"10.1016/j.cjac.2024.100457","url":null,"abstract":"<div><div>Heavy metal ion Cd, as a toxic pollutant, can accumulate in human body through the bioaccumulation effect of food chain and poses a threat to human health. Packaged drinking water is one of the main water sources for many people, making it crucial to detect their cadmium ion levels. In this work, an AuBi bimetal film was electrodeposited onto a flexible screen-printed electrode to construct highly sensitive cadmium ion sensors. The prepared sensor could enrich trace cadmium ions in the target electrolyte, followed by sensitive detection of cadmium ions using stripping wave voltammetry. The electrochemical results demonstrated that the developed sensor based on AuBi bimetal exhibited a significant linear response to cadmium ions in the range of 50 μg/L to 800 μg/L, with a low detection limit of 11.68 μg/L (S/N = 3), and it also showed good repeatability. The prepared flexible electrochemical sensor was employed to detect the cadmium ion level in five common types of packaged drinking water available on the market, and the relative standard deviation (RSD) and recovery were within normal ranges, indicating that it could achieve rapid and sensitive detection of cadmium ion level in drinking water and other foodstuffs.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100457"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metabolomics analysis reveals that Qingxiangyin improves central precocious puberty through 13S-hydroxyoctadecadienoic acid mediated linoleic acid metabolic for regulating the PPAR pathways 代谢组学分析揭示清香药通过13S-羟基十八碳二烯酸介导的亚油酸代谢改善中枢性性早熟，从而调节PPAR通路

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100454

Yiyuan CHEN, Jing LI

{"title":"Metabolomics analysis reveals that Qingxiangyin improves central precocious puberty through 13S-hydroxyoctadecadienoic acid mediated linoleic acid metabolic for regulating the PPAR pathways","authors":"Yiyuan CHEN, Jing LI","doi":"10.1016/j.cjac.2024.100454","DOIUrl":"10.1016/j.cjac.2024.100454","url":null,"abstract":"<div><div>The occurrence of central precocious puberty (CPP) among children which is induced by untimely activation of the hypothalamic-pituitary-gonadal (HPG) axis is increasing gradually. Traditional Chinese Medicine endeavors to eradicate or mitigate the underlying factors and thereby reestablish the balance within the physiological system, Qingxiangyin (QXY) is a Chinese medicine that can effectively improve CPP via balancing Yin and Yang. However, the metabolic regulation mechanism of QXY on CPP is still unclear. Here, we established a CPP mouse model, and carried out Leuprorelin (lep), Qingxiangyin high (QXY-h), middle (QXY-M) and low (QXY-L) treatment. The metabolic profile of hypothalamus was evaluated by LC-MS/MS. The major differentially expressed metabolites (DEMs) between the CPP model and blank group were (<em>S</em>)-Abscisic acid, Methylmalonic acid, 2-Oxo-4-methylthiobutanoic acid. The main metabolites in QXY-h vs model were pyridoxal phosphate, phenylpyruvate and palmitoylcarnitine. There were 14 distinct metabolites in the model vs. QXY-M group, among which 3 were up-regulated and 11 were down-regulated. The principal metabolite was succinic acid, phenylpyruvic acid and 13S‑hydroxy-octanadienoic acid. QXY-L induced alterations in 20 metabolites in CPP, with 5 metabolites up-regulated and 15 metabolites down-regulated. The major metabolites were 13S-hydroxyoctaenodienoic acid, benzoylamine, cyclohexanamine and palmitic acid. QXY-mediated metabolites were involved in “PPAR signaling pathway”, “linoleic acid metabolism”, “Lysine degradation” in CPP. In conclusion, the 13S-hydroxyoctadecadienoic acid mediateed linoleic acid metabolism for regulating the PPAR signaling pathway is the key mechanisms by which QXY affects CPP. Our results provide insights into the study of QXY therapy for CPP.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100454"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Renal protective effect of Isaria felina mycelium powder on diet and STZ-induced diabetes mice and the identification of major chemical constituents 鱼腥草菌丝粉对饮食和 STZ 诱导的糖尿病小鼠的肾脏保护作用及主要化学成分的鉴定

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100451

Ziyang HUANG , Jingjing CHEN , Lili ZHAO , Lixia CHEN , Yuxin YANG , Junjun LI , Jing WANG , Yongming YANG , Lei YAN , Guoyan YU , Xiaowei SHI , Yiyin ZHANG , Yanlin YU , Sujiao LIANG , Xihua YANG

{"title":"Renal protective effect of Isaria felina mycelium powder on diet and STZ-induced diabetes mice and the identification of major chemical constituents","authors":"Ziyang HUANG , Jingjing CHEN , Lili ZHAO , Lixia CHEN , Yuxin YANG , Junjun LI , Jing WANG , Yongming YANG , Lei YAN , Guoyan YU , Xiaowei SHI , Yiyin ZHANG , Yanlin YU , Sujiao LIANG , Xihua YANG","doi":"10.1016/j.cjac.2024.100451","DOIUrl":"10.1016/j.cjac.2024.100451","url":null,"abstract":"<div><div>Type 2 diabetes is a group of metabolic diseases mainly characterized by chronic hyperglycemia. Diabetic kidney disease is the most common microvascular complication of diabetes.</div><div>The aim of this study was to investigate the therapeutic effect of <em>Isaria felina</em> mycelium powder (IFMP) on diet and streptozotocin (STZ)-induced diabetic mouse model. And we analyze the main chemical constituents of <em>Isaria felina</em> mycelium powder.</div><div>The main chemical constituents of the alcohol-soluble IFMP were prepared and identified by high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). The fasting blood glucose and renal index of the mouse model was determined. Serum levels of triglyceride (TG), total cholesterol (TC), serum creatinine (Scr) and blood urea nitrogen (BUN) were detected. The levels of CD2AP and nephrin proteins in the kidney were detected by ELISA kits.</div><div>A total of 32 compounds were identified, including nucleosides (16 types), amino acids (13 types), sterols (one type) and glycosides (two types). The experimental results showed that compared with the diabetes model group, IFMP reduced fasting blood glucose, food intake and water intake. Biochemical analysis indicated that IFMP reduced the serum levels of TG, TC, BUN and Scr, and increased the levels of CD2AP and nephrin proteins in the kidneys.</div><div>Therefore, IFMP has the potential to treat diabetes and prevent kidney damage induced by hyperglycemia.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100451"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determination of microplastic release from disposable plastic containers in Isfahan 测定伊斯法罕一次性塑料容器中的微塑料释放量

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100448

Roya KELISHADI , Ali AGHABABAI BENI , Karim EBRAHIMPOUR , Motahar HEIDARI-BENI

{"title":"Determination of microplastic release from disposable plastic containers in Isfahan","authors":"Roya KELISHADI , Ali AGHABABAI BENI , Karim EBRAHIMPOUR , Motahar HEIDARI-BENI","doi":"10.1016/j.cjac.2024.100448","DOIUrl":"10.1016/j.cjac.2024.100448","url":null,"abstract":"<div><div>The widespread release of microplastics from disposable food containers raises significant concerns for health and the environment. This study aimed to elucidate the underlying mechanisms of microplastic release by exploring various factors, including temperature variations and the impact of spoon contact on disposable utensils. A total of 30 samples of disposable polystyrene containers were randomly selected from markets in Isfahan, Iran. Advanced analytical techniques, including Fourier transform infrared spectroscopy, field emission scanning electron microscopy, dynamic light scattering, X-ray diffraction, and Raman spectroscopy, were employed for comprehensive analysis. The results unequivocally established the chemical and structural similarity between the microplastics released from these containers and polystyrene. Furthermore, the study revealed that both elevated temperatures and the physical agitation caused by spoon contact significantly increased the release of microplastics from the containers. The maximum amount of microplastics released was 30 mg at 120 °C when only water was circulated in the container, while it increased to 56 mg at 120 °C when the spoon was also moved inside the containers.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100448"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A development in greener microextraction methods for analysis of pesticide residues in environmental water samples: A review 用于分析环境水样中农药残留的绿色微萃取方法的发展：综述

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100458

Endalkachew ETANA , Birhanu MEKASSA

{"title":"A development in greener microextraction methods for analysis of pesticide residues in environmental water samples: A review","authors":"Endalkachew ETANA , Birhanu MEKASSA","doi":"10.1016/j.cjac.2024.100458","DOIUrl":"10.1016/j.cjac.2024.100458","url":null,"abstract":"<div><div>Pesticide residues in water are gaining prominence as one of the most serious water quality challenges. Their analysis requires advanced sample preparation and instrumental techniques. However, there is a continuing challenge mainly because of the trace quantities as well as the high amount of interfering substances which can be co-extracted with them, frequently leading to method errors and damages the efficiency of analytical instruments. Thus, the development of greener microextraction techniques for pesticide analysis is very important since it reduces overall sample preparation time, use fewer organic solvents, produce less wastes, has adequate extraction and clean up capacity for the target analytes, and removes interferents from the complex sample that can affect instrumental performance. This paper focuses on reviewing greener microextraction methods used in the analysis of pesticide residues in environmental water samples. The microextraction methods include: liquid phase microextraction (LPME), solid phase microextraction (SPME), dispersive liquid-liquid microextraction (DLLME), hollow fiber liquid phase microextraction (HF-LPME), stir bar sorptive extraction (SBSE) and single drop microextraction (SDME). This review paper also presents the development, advantage and disadvantage, green aspects and sample preparation technique of each microextraction methods for analysis of pesticide residues in water matrix. Moreover, the different analytical techniques used for determination of the required analyte from water matrix after extraction steps were also addressed.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100458"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142721274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Potential molecular mechanisms of Danggui-Shaoyao-San in the treatment of melasma based on network pharmacology with molecular docking 基于网络药理学与分子对接的当归芍药散治疗黄褐斑的潜在分子机制

IF 1.2 4区化学

Chinese Journal of Analytical Chemistry Pub Date : 2024-10-01 DOI: 10.1016/j.cjac.2024.100449

Yuehan HUANG , Guo XU , Lin ZHU , Qiao JIN , Tianran CHEN

{"title":"Potential molecular mechanisms of Danggui-Shaoyao-San in the treatment of melasma based on network pharmacology with molecular docking","authors":"Yuehan HUANG , Guo XU , Lin ZHU , Qiao JIN , Tianran CHEN","doi":"10.1016/j.cjac.2024.100449","DOIUrl":"10.1016/j.cjac.2024.100449","url":null,"abstract":"<div><div>Although Danggui-Shaoyao-San (DSS) is frequently used in China to treat melasma, its underlying mechanism still needs to be better understood. Our aim is to determine the mechanism behind DSS in treating melasma through network pharmacology (NP). The DSS active compounds alongside corresponding target genes are identified by accessing the TCMSP database and SwissTargetPrediction. Melasma-associated targets are retrieved from the GeneCards, DisGeNet, Durgbanks, OMIM, and TTD databases. Next, we build a component-target association network via Cytoscape software while generating a protein-protein interaction network utilizing the STRING database. Subsequently, both core target genes and active compounds are determined. Through the DAVID database and Bioinformatics tools, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses are conducted. Lastly, the CB-Dock2 server is deployed to conduct molecular docking (MOD). The results manifest that alisol B, cerevisterol, and Wallichilide, among others, are active compounds in DSS, while PTGS2, ESR1, and ESR2 are core target genes. Both GO and KEGG analyses showcase that the potential core drug components modulate pathways in cancer, chemical carcinogenesis-receptor activation, calcium, relaxin, and estrogen signaling by exerting their effects on biological processes. These processes include negative gene expression regulation as well as positive regulation of both cytosolic calcium ion concentration and transcription from the RNA polymerase II promoter, thereby playing an anti-melasma pharmacological role. The MOD displays that core target genes have good binding activity with the active compounds. To conclude, NP demonstrates that DSS can serve as an innovative medication for treating melasma.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100449"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0