P. Mayavel, J. Divya, P. Gayathri, S. Balasundari, V. Usha, I. Muthuvel, Krishnakumar Balu, K. N. Shivakumara, Gurusamy Raman, G. Thirunarayanan
{"title":"一些生物活性 E-亚胺的超声辅助合成及其光谱相关性","authors":"P. Mayavel, J. Divya, P. Gayathri, S. Balasundari, V. Usha, I. Muthuvel, Krishnakumar Balu, K. N. Shivakumara, Gurusamy Raman, G. Thirunarayanan","doi":"10.1007/s11164-024-05363-w","DOIUrl":null,"url":null,"abstract":"<div><p>Some aryl <i>E</i>-imines were synthesized by nano-fly-ash H<sub>3</sub>PO<sub>4</sub>-catalyzed condensation of various aryl anilines and benzaldehydes under ultrasound irradiated greener solvent medium. In this condensation, the obtained yield was more than 75%. These<i> E</i>-imines were characterized by their physico-chemical data, microanalysis, and spectroscopic data. The characteristic spectral frequencies were employed for spectral quantitative structure–activity relationship study. The spectral QSAR study was performed with single and multi-regression analysis using Hammett <i>σ</i>, <i>σ</i>, <i>σ</i><sub>I</sub>, <i>σ</i><sub>R</sub> <i>F</i> <i>R</i>, and Swain–Lupton’s constants. From the outcome of the regression, the effect of substituents on the spectral frequencies was predicted. The molecular docking study of these imines was performed by the assessment of protein–ligand interaction study with a characteristic protein. The antimicrobial activities of these imines were studied using the Bauer–Kirby disk diffusion technique with various bacterial and fungal microbes. The in vitro antimalarial activity of these imines was measured using <i>P. Falciparum</i> Thai protein microbes.</p></div>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":"50 9","pages":"4503 - 4532"},"PeriodicalIF":2.8000,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Ultrasound-assisted synthesis and spectral correlations of some bioactive E-imines\",\"authors\":\"P. Mayavel, J. Divya, P. Gayathri, S. Balasundari, V. Usha, I. Muthuvel, Krishnakumar Balu, K. N. Shivakumara, Gurusamy Raman, G. Thirunarayanan\",\"doi\":\"10.1007/s11164-024-05363-w\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Some aryl <i>E</i>-imines were synthesized by nano-fly-ash H<sub>3</sub>PO<sub>4</sub>-catalyzed condensation of various aryl anilines and benzaldehydes under ultrasound irradiated greener solvent medium. In this condensation, the obtained yield was more than 75%. These<i> E</i>-imines were characterized by their physico-chemical data, microanalysis, and spectroscopic data. The characteristic spectral frequencies were employed for spectral quantitative structure–activity relationship study. The spectral QSAR study was performed with single and multi-regression analysis using Hammett <i>σ</i>, <i>σ</i>, <i>σ</i><sub>I</sub>, <i>σ</i><sub>R</sub> <i>F</i> <i>R</i>, and Swain–Lupton’s constants. From the outcome of the regression, the effect of substituents on the spectral frequencies was predicted. The molecular docking study of these imines was performed by the assessment of protein–ligand interaction study with a characteristic protein. The antimicrobial activities of these imines were studied using the Bauer–Kirby disk diffusion technique with various bacterial and fungal microbes. The in vitro antimalarial activity of these imines was measured using <i>P. Falciparum</i> Thai protein microbes.</p></div>\",\"PeriodicalId\":753,\"journal\":{\"name\":\"Research on Chemical Intermediates\",\"volume\":\"50 9\",\"pages\":\"4503 - 4532\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-08-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Research on Chemical Intermediates\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11164-024-05363-w\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Research on Chemical Intermediates","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11164-024-05363-w","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
在超声辐照的绿色溶剂介质下,通过纳米飞灰 H3PO4 催化多种芳基苯胺和苯甲醛的缩合,合成了一些芳基 E-亚胺。在这种缩合反应中,产率超过 75%。通过物理化学数据、显微分析和光谱数据对这些 E-亚胺进行了表征。利用特征光谱频率进行了光谱定量结构-活性关系研究。光谱 QSAR 研究使用 Hammett σ、σ、σI、σR F R 和 Swain-Lupton 常量进行单回归和多回归分析。根据回归结果,预测了取代基对光谱频率的影响。通过评估蛋白质配体与特征蛋白质的相互作用,对这些亚胺进行了分子对接研究。利用鲍尔-柯比盘扩散技术对这些亚胺的抗菌活性进行了研究。利用泰国疟原虫蛋白微生物对这些亚胺的体外抗疟活性进行了测定。
Ultrasound-assisted synthesis and spectral correlations of some bioactive E-imines
Some aryl E-imines were synthesized by nano-fly-ash H3PO4-catalyzed condensation of various aryl anilines and benzaldehydes under ultrasound irradiated greener solvent medium. In this condensation, the obtained yield was more than 75%. These E-imines were characterized by their physico-chemical data, microanalysis, and spectroscopic data. The characteristic spectral frequencies were employed for spectral quantitative structure–activity relationship study. The spectral QSAR study was performed with single and multi-regression analysis using Hammett σ, σ, σI, σRFR, and Swain–Lupton’s constants. From the outcome of the regression, the effect of substituents on the spectral frequencies was predicted. The molecular docking study of these imines was performed by the assessment of protein–ligand interaction study with a characteristic protein. The antimicrobial activities of these imines were studied using the Bauer–Kirby disk diffusion technique with various bacterial and fungal microbes. The in vitro antimalarial activity of these imines was measured using P. Falciparum Thai protein microbes.
期刊介绍:
Research on Chemical Intermediates publishes current research articles and concise dynamic reviews on the properties, structures and reactivities of intermediate species in all the various domains of chemistry.
The journal also contains articles in related disciplines such as spectroscopy, molecular biology and biochemistry, atmospheric and environmental sciences, catalysis, photochemistry and photophysics. In addition, special issues dedicated to specific topics in the field are regularly published.