{"title":"大戟科植物中的 Lathyrane 和 ent-isopimarane 二萜类化合物及其活性成分的目标预测。","authors":"","doi":"10.1016/j.phytochem.2024.114256","DOIUrl":null,"url":null,"abstract":"<div><p>Fourteen undescribed diterpenoids, including eleven lathyrane diterpenoids wallathyanes A-K (<strong>1</strong>–<strong>11</strong>) and three <em>ent</em>-isopimarane diterpenoids wallisopiranes A-C (<strong>12</strong>–<strong>14</strong>), together with fourteen known analogues <strong>15</strong>–<strong>28</strong>, were obtained from the whole plant of <em>Euphorbia wallichii</em>. Their chemical structures were elucidated by spectroscopic data analysis, experimental electronic circular dichroism measurements, and X-ray crystallography. Bioactivity screening indicated that compound <strong>2</strong> exhibited an inhibitory effect on NO generation in LPS-stimulated RAW264.7 macrophage cells with an IC<sub>50</sub> value of 4.76 ± 1.08 μM. The network pharmacology and molecular docking studies also revealed that compound <strong>2</strong> can bind with the potential targets GRB, AKT1, MAPK1, MAPK14, HSP90AA1, PIK3R1, PIK3CB, PRKACA, SRC, CASP3, RXRA, PTPNA11, ZAP70, and PRKC of inflammation.</p></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Lathyrane and ent-isopimarane diterpenoids from Euphorbia wallichii and target prediction of active ingredient\",\"authors\":\"\",\"doi\":\"10.1016/j.phytochem.2024.114256\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Fourteen undescribed diterpenoids, including eleven lathyrane diterpenoids wallathyanes A-K (<strong>1</strong>–<strong>11</strong>) and three <em>ent</em>-isopimarane diterpenoids wallisopiranes A-C (<strong>12</strong>–<strong>14</strong>), together with fourteen known analogues <strong>15</strong>–<strong>28</strong>, were obtained from the whole plant of <em>Euphorbia wallichii</em>. Their chemical structures were elucidated by spectroscopic data analysis, experimental electronic circular dichroism measurements, and X-ray crystallography. Bioactivity screening indicated that compound <strong>2</strong> exhibited an inhibitory effect on NO generation in LPS-stimulated RAW264.7 macrophage cells with an IC<sub>50</sub> value of 4.76 ± 1.08 μM. The network pharmacology and molecular docking studies also revealed that compound <strong>2</strong> can bind with the potential targets GRB, AKT1, MAPK1, MAPK14, HSP90AA1, PIK3R1, PIK3CB, PRKACA, SRC, CASP3, RXRA, PTPNA11, ZAP70, and PRKC of inflammation.</p></div>\",\"PeriodicalId\":20170,\"journal\":{\"name\":\"Phytochemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-08-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Phytochemistry\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0031942224002930\",\"RegionNum\":2,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Phytochemistry","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0031942224002930","RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Lathyrane and ent-isopimarane diterpenoids from Euphorbia wallichii and target prediction of active ingredient
Fourteen undescribed diterpenoids, including eleven lathyrane diterpenoids wallathyanes A-K (1–11) and three ent-isopimarane diterpenoids wallisopiranes A-C (12–14), together with fourteen known analogues 15–28, were obtained from the whole plant of Euphorbia wallichii. Their chemical structures were elucidated by spectroscopic data analysis, experimental electronic circular dichroism measurements, and X-ray crystallography. Bioactivity screening indicated that compound 2 exhibited an inhibitory effect on NO generation in LPS-stimulated RAW264.7 macrophage cells with an IC50 value of 4.76 ± 1.08 μM. The network pharmacology and molecular docking studies also revealed that compound 2 can bind with the potential targets GRB, AKT1, MAPK1, MAPK14, HSP90AA1, PIK3R1, PIK3CB, PRKACA, SRC, CASP3, RXRA, PTPNA11, ZAP70, and PRKC of inflammation.
期刊介绍：
Phytochemistry is a leading international journal publishing studies of plant chemistry, biochemistry, molecular biology and genetics, structure and bioactivities of phytochemicals, including ''-omics'' and bioinformatics/computational biology approaches. Phytochemistry is a primary source for papers dealing with phytochemicals, especially reports concerning their biosynthesis, regulation, and biological properties both in planta and as bioactive principles. Articles are published online as soon as possible as Articles-in-Press and in 12 volumes per year. Occasional topic-focussed special issues are published composed of papers from invited authors.
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