Jun Gu Kim , Jae Sang Han , Yong Beom Cho , Beom Kyun An , Dongho Lee , Mi Kyeong Lee , Bang Yeon Hwang
{"title":"在分子网络指导下，从天青藤中分离出抑制黑色素生成的二氢-β-香茅呋喃倍半萜类化合物。","authors":"Jun Gu Kim , Jae Sang Han , Yong Beom Cho , Beom Kyun An , Dongho Lee , Mi Kyeong Lee , Bang Yeon Hwang","doi":"10.1016/j.phytochem.2024.114312","DOIUrl":null,"url":null,"abstract":"<div><div>Seven previously undescribed dihydro-<em>β</em>-agarofurans (<strong>1</strong>–<strong>7</strong>) together with 28 known compounds were isolated from <em>Celastrus orbiculatus</em> fruits using LC-MS/MS-based molecular networking-guided purification. Their structures were elucidated through 1D and 2D-NMR, HRESIMS analysis, and ECD quantum chemical calculations. The inhibitory effects of all isolated compounds on <em>α</em>-MSH-induced melanin production in B16F0 melanoma cells were tested. Compounds <strong>1</strong>, <strong>11</strong>, <strong>12</strong>, <strong>19</strong>–<strong>21</strong>, <strong>23</strong>, <strong>29</strong>, <strong>31</strong>, <strong>34</strong>, and <strong>35</strong> showed significant inhibitory effects on melanin production with IC<sub>50</sub> values ranging from 11.3 to 30.1 μM.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"229 ","pages":"Article 114312"},"PeriodicalIF":3.2000,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular networking-guided isolation of melanogenesis inhibitory dihydro-β-agarofuran sesquiterpenoids from Celastrus orbiculatus\",\"authors\":\"Jun Gu Kim , Jae Sang Han , Yong Beom Cho , Beom Kyun An , Dongho Lee , Mi Kyeong Lee , Bang Yeon Hwang\",\"doi\":\"10.1016/j.phytochem.2024.114312\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Seven previously undescribed dihydro-<em>β</em>-agarofurans (<strong>1</strong>–<strong>7</strong>) together with 28 known compounds were isolated from <em>Celastrus orbiculatus</em> fruits using LC-MS/MS-based molecular networking-guided purification. Their structures were elucidated through 1D and 2D-NMR, HRESIMS analysis, and ECD quantum chemical calculations. The inhibitory effects of all isolated compounds on <em>α</em>-MSH-induced melanin production in B16F0 melanoma cells were tested. Compounds <strong>1</strong>, <strong>11</strong>, <strong>12</strong>, <strong>19</strong>–<strong>21</strong>, <strong>23</strong>, <strong>29</strong>, <strong>31</strong>, <strong>34</strong>, and <strong>35</strong> showed significant inhibitory effects on melanin production with IC<sub>50</sub> values ranging from 11.3 to 30.1 μM.</div></div>\",\"PeriodicalId\":20170,\"journal\":{\"name\":\"Phytochemistry\",\"volume\":\"229 \",\"pages\":\"Article 114312\"},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-10-22\",\"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/S0031942224003492\",\"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/S0031942224003492","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}
Molecular networking-guided isolation of melanogenesis inhibitory dihydro-β-agarofuran sesquiterpenoids from Celastrus orbiculatus
Seven previously undescribed dihydro-β-agarofurans (1–7) together with 28 known compounds were isolated from Celastrus orbiculatus fruits using LC-MS/MS-based molecular networking-guided purification. Their structures were elucidated through 1D and 2D-NMR, HRESIMS analysis, and ECD quantum chemical calculations. The inhibitory effects of all isolated compounds on α-MSH-induced melanin production in B16F0 melanoma cells were tested. Compounds 1, 11, 12, 19–21, 23, 29, 31, 34, and 35 showed significant inhibitory effects on melanin production with IC50 values ranging from 11.3 to 30.1 μM.
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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