{"title":"芫荽精油治疗乳腺癌的化学成分、体外及体内评价。","authors":"Jyotirmayee Behera, Tushar Midha, Bhim Singh, Jare Shrikrushna Bharat, Somesh Baranwal, Vikas Jaitak","doi":"10.1080/14786419.2025.2562599","DOIUrl":null,"url":null,"abstract":"<p><p>Breast cancer (BC) is a commonly diagnosed and life-threatening malignancy worldwide. Present study explores the anticancer activity of essential oil (EO) hydrodistilled from the leaves of <i>Syzygium cumini</i> L. Chemical constituents extracted from oil were analysed by Gas-Chromatography Mass Spectrometry (GC-MS). A total of 36 distinct constituents were identified out of 46 present where ocimene (55.48%), β-pinene (8.15%) and α-pinene (7.70%) were observed as the major one. The EO also exhibited antiproliferative activity against two breast cancer cell lines, MDA-MB-231 and MCF-7, yielding an IC<sub>50</sub> value of 12.07 µg/mL and 10.30 µg/mL, respectively. Phytoconstituents have shown good binding interaction along with docking scores against ERα (PDB ID-4XI3) which indicates the effectiveness of oil for BC. Pharmacokinetic properties of constituents were also found within the acceptable range.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-8"},"PeriodicalIF":1.6000,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Chemical composition, <i>in vitro</i> and <i>in silico</i> evaluation of essential oil from <i>Syzygium cumini</i> L. for breast cancer.\",\"authors\":\"Jyotirmayee Behera, Tushar Midha, Bhim Singh, Jare Shrikrushna Bharat, Somesh Baranwal, Vikas Jaitak\",\"doi\":\"10.1080/14786419.2025.2562599\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Breast cancer (BC) is a commonly diagnosed and life-threatening malignancy worldwide. Present study explores the anticancer activity of essential oil (EO) hydrodistilled from the leaves of <i>Syzygium cumini</i> L. Chemical constituents extracted from oil were analysed by Gas-Chromatography Mass Spectrometry (GC-MS). A total of 36 distinct constituents were identified out of 46 present where ocimene (55.48%), β-pinene (8.15%) and α-pinene (7.70%) were observed as the major one. The EO also exhibited antiproliferative activity against two breast cancer cell lines, MDA-MB-231 and MCF-7, yielding an IC<sub>50</sub> value of 12.07 µg/mL and 10.30 µg/mL, respectively. Phytoconstituents have shown good binding interaction along with docking scores against ERα (PDB ID-4XI3) which indicates the effectiveness of oil for BC. Pharmacokinetic properties of constituents were also found within the acceptable range.</p>\",\"PeriodicalId\":18990,\"journal\":{\"name\":\"Natural Product Research\",\"volume\":\" \",\"pages\":\"1-8\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2025-09-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Natural Product Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/14786419.2025.2562599\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Natural Product Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/14786419.2025.2562599","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
Chemical composition, in vitro and in silico evaluation of essential oil from Syzygium cumini L. for breast cancer.
Breast cancer (BC) is a commonly diagnosed and life-threatening malignancy worldwide. Present study explores the anticancer activity of essential oil (EO) hydrodistilled from the leaves of Syzygium cumini L. Chemical constituents extracted from oil were analysed by Gas-Chromatography Mass Spectrometry (GC-MS). A total of 36 distinct constituents were identified out of 46 present where ocimene (55.48%), β-pinene (8.15%) and α-pinene (7.70%) were observed as the major one. The EO also exhibited antiproliferative activity against two breast cancer cell lines, MDA-MB-231 and MCF-7, yielding an IC50 value of 12.07 µg/mL and 10.30 µg/mL, respectively. Phytoconstituents have shown good binding interaction along with docking scores against ERα (PDB ID-4XI3) which indicates the effectiveness of oil for BC. Pharmacokinetic properties of constituents were also found within the acceptable range.
期刊介绍：
The aim of Natural Product Research is to publish important contributions in the field of natural product chemistry. The journal covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds.
The communications include coverage of work on natural substances of land and sea and of plants, microbes and animals. Discussions of structure elucidation, synthesis and experimental biosynthesis of natural products as well as developments of methods in these areas are welcomed in the journal. Finally, research papers in fields on the chemistry-biology boundary, eg. fermentation chemistry, plant tissue culture investigations etc., are accepted into the journal.
Natural Product Research issues will be subtitled either ""Part A - Synthesis and Structure"" or ""Part B - Bioactive Natural Products"". for details on this , see the forthcoming articles section.
All manuscript submissions are subject to initial appraisal by the Editor, and, if found suitable for further consideration, to peer review by independent, anonymous expert referees. All peer review is single blind and submission is online via ScholarOne Manuscripts.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
