R. Yuvashri , Era Dravida Thendral , D. Reuben Jonathan , A. Anish Fathima , K. Laavanya , G. Usha
{"title":"评估作为潜在抗乳腺癌药物的一系列新姜黄素衍生物:体外和体内特征的综合分析","authors":"R. Yuvashri , Era Dravida Thendral , D. Reuben Jonathan , A. Anish Fathima , K. Laavanya , G. Usha","doi":"10.1016/j.chphi.2024.100663","DOIUrl":null,"url":null,"abstract":"<div><p>In this work, a series of curcumin derivatives have been synthesized using Claisen Schmidt condensation reaction & Schotten-Baumann reaction, and they were screened through in-silico and in-vitro analysis to determine their capacity as a potential agent against breast cancer. Molecular docking reveals that the compounds are in good fit in the active site region of the target protein. Anti-cancer activity reveals that compounds are highly active against the MCF-7 cell lines, even at low concentration. Among the synthesized compounds, a set of five (Group B) exhibits a nontoxic effect against normal cell lines even at high concentration, whereas the other set of six compounds (Group A) display a toxic effect. The drug likeliness and pharmacokinetic properties reveal that the compounds can be lead drug materials against breast cancer.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8000,"publicationDate":"2024-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S266702242400207X/pdfft?md5=59b485f3194f21a797063e7eb7cf1a17&pid=1-s2.0-S266702242400207X-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Evaluating a series of new curcumin derivatives as potential anti-breast cancer agents: A collective analysis of in-vitro and in-silico characterization\",\"authors\":\"R. Yuvashri , Era Dravida Thendral , D. Reuben Jonathan , A. Anish Fathima , K. Laavanya , G. Usha\",\"doi\":\"10.1016/j.chphi.2024.100663\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this work, a series of curcumin derivatives have been synthesized using Claisen Schmidt condensation reaction & Schotten-Baumann reaction, and they were screened through in-silico and in-vitro analysis to determine their capacity as a potential agent against breast cancer. Molecular docking reveals that the compounds are in good fit in the active site region of the target protein. Anti-cancer activity reveals that compounds are highly active against the MCF-7 cell lines, even at low concentration. Among the synthesized compounds, a set of five (Group B) exhibits a nontoxic effect against normal cell lines even at high concentration, whereas the other set of six compounds (Group A) display a toxic effect. The drug likeliness and pharmacokinetic properties reveal that the compounds can be lead drug materials against breast cancer.</p></div>\",\"PeriodicalId\":9758,\"journal\":{\"name\":\"Chemical Physics Impact\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2024-06-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S266702242400207X/pdfft?md5=59b485f3194f21a797063e7eb7cf1a17&pid=1-s2.0-S266702242400207X-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Physics Impact\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S266702242400207X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics Impact","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S266702242400207X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Evaluating a series of new curcumin derivatives as potential anti-breast cancer agents: A collective analysis of in-vitro and in-silico characterization
In this work, a series of curcumin derivatives have been synthesized using Claisen Schmidt condensation reaction & Schotten-Baumann reaction, and they were screened through in-silico and in-vitro analysis to determine their capacity as a potential agent against breast cancer. Molecular docking reveals that the compounds are in good fit in the active site region of the target protein. Anti-cancer activity reveals that compounds are highly active against the MCF-7 cell lines, even at low concentration. Among the synthesized compounds, a set of five (Group B) exhibits a nontoxic effect against normal cell lines even at high concentration, whereas the other set of six compounds (Group A) display a toxic effect. The drug likeliness and pharmacokinetic properties reveal that the compounds can be lead drug materials against breast cancer.