Article
Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
Registro en:
SILVA, J. B. P. et al. Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target. Journal of Molecular Structure, v. 1093, p. 219–227, 2015.
0022-2860
Autor
Silva, João Bosco Paraiso da
Hallwass, Fernando
Silva, Aluizio Galdino da
Moreira, Diogo Rodrigo de Magalhães
Ramos, Mozart Neves
Espíndola, José Wanderlan Pontes
Oliveira, Ana Daura Travassos de
Brondani, Dalci José
Leite, Ana Cristina Lima
Merz Junior, Kenneth M
Resumen
FACEPE/CNPq/PRONEX, FACEPE/PPSUS-2008 and Dengue Institute/CNPq DFT calculations were used to access information about structure, energy and electronic properties of series
of phenyl- and phenoxymethyl-(thio)semicarbazone derivatives with demonstrated activity against
the larvae of Aedes aegypti in stage L4. The way as the thiosemicarbazone derivatives can interact with
solvents like DMSO and water were analyzed from the comparison between calculated and experimental
1H NMR chemical shifts. The evidences of thiosemicarbazone derivatives making H-bond interaction to
solvent have provide us insights on how they can interact with a potential A. aegypti’s biological target,
the Sterol Carrier Protein-2.