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THIOSEMICARBAZONES AS AEDES AEGYPTI LARVICIDAL
Larvicide
Thiosemicarbazones
Sterol carrier protein-2
QSAR
Docking
Autor
Silva, João Bosco Paraiso da
Navarro, Daniela Maria do Amaral Ferraz
Silva, Aluizio Galdaino da
Santos, Geanne Karla Novis
Dutra, Kamilla de Andrade
Moreira, Diogo Rodrigo de Magalhães
Ramos, Mozart Neves
Espíndola, José Wanderlan Pontes
Oliveira, Ana Daura Travassos de
Brondani, Dalci José
Leite, Ana Cristina Lima
Hernandes, Marcelo Zaldini
Pereira, Valéria R. A
Rocha, Lucas F. da
Castro, Maria Carolina Accioly Brelaz de
Oliveira, Beatriz Coutinho de
Lan, Que
Merz, Kenneth M
Navarro, Daniela Maria do Amaral Ferraz
Silva, Aluizio Galdaino da
Santos, Geanne Karla Novis
Dutra, Kamilla de Andrade
Moreira, Diogo Rodrigo de Magalhães
Ramos, Mozart Neves
Espíndola, José Wanderlan Pontes
Oliveira, Ana Daura Travassos de
Brondani, Dalci José
Leite, Ana Cristina Lima
Hernandes, Marcelo Zaldini
Pereira, Valéria R. A
Rocha, Lucas F. da
Castro, Maria Carolina Accioly Brelaz de
Oliveira, Beatriz Coutinho de
Lan, Que
Merz, Kenneth M
Afiliación
Múltipla - ver em Notas
Resumen en ingles
A set of aryl- and phenoxymethyl-(thio)semicarbazones were synthetized, characterized and biologically evaluated against the larvae of Aedes aegypti (A. aegypti), the vector responsible for diseases like Dengue and Yellow Fever. (Q)SAR studies were useful for predicting the activities of the compounds not included to create the QSAR model as well as to predict the features of a new compound with improved activity. Docking studies corroborated experimental evidence of AeSCP-2 as a potential target able to explain the larvicidal properties of its compounds. The trend observed between the in silico Docking scores and the in vitro pLC50 (equals -log LC50, at molar concentration) data indicated that the highest larvicidal compounds, or the compounds with the highest values for pLC50, are usually those with the higher docking scores (i.e., greater in silico affinity for the AeSCP-2 target). Determination of cytotoxicity for these compounds in mammal cells demonstrated that the top larvicide compounds are non-toxic.
Palabras clave en ingles
Aedes aegyptiLarvicide
Thiosemicarbazones
Sterol carrier protein-2
QSAR
Docking
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