J. Coelho, Tatiana F. Vieira, R. Pereira, David M. Pereira, E. M. Castanheira, A. Fortes, S. Sousa, M. J. Fernandes, M. Gonçalves
{"title":"Eugenol Ester Derivatives: Synthesis, Insecticidal Activity and Computational Studies","authors":"J. Coelho, Tatiana F. Vieira, R. Pereira, David M. Pereira, E. M. Castanheira, A. Fortes, S. Sousa, M. J. Fernandes, M. Gonçalves","doi":"10.3390/ecsoc-25-11787","DOIUrl":null,"url":null,"abstract":": Specific structural modifications in eugenol molecule can simultaneously improve the biological activity and reduce side effects of the respective analogues. The esterification of eugenol by two different experimental procedures, and subsequently conversion of one of the esters into the corresponding oxirane was carried out. All derivatives obtained were then evaluated for their effect on the viability of Sf9 ( Spodoptera frugiperda ), cells. In addition, a structured-based inverted virtual screening protocol was employed to identify the potential proteins associated to the observed insecticidal activity. The encouraging results obtained allowed to establish a preliminary structure-activity relationship.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ECSOC-25","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/ecsoc-25-11787","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
Abstract
: Specific structural modifications in eugenol molecule can simultaneously improve the biological activity and reduce side effects of the respective analogues. The esterification of eugenol by two different experimental procedures, and subsequently conversion of one of the esters into the corresponding oxirane was carried out. All derivatives obtained were then evaluated for their effect on the viability of Sf9 ( Spodoptera frugiperda ), cells. In addition, a structured-based inverted virtual screening protocol was employed to identify the potential proteins associated to the observed insecticidal activity. The encouraging results obtained allowed to establish a preliminary structure-activity relationship.
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