Quantitative structure–toxicity relationship (QSTR) studies on the organophosphate insecticides

Can, Alper

doi:10.1016/j.toxlet.2014.08.016

Cited by 25 publications

(12 citation statements)

References 23 publications

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“…Between paraoxon and parathion, the different levels of toxicity depends on the bond P=O or P=S. The P=O bond in paraoxon and methyl-paraoxon is less polarizable than the P=S bond in parathion and methyl-parathion (Bae et al, 2013), and the toxicity of paraoxon/methylparaoxon is higher than that of parathion/methyl-parathion, which is consistent with the previous finding that high polarizability and molecular mass could decrease toxicity of OPCs (Can, 2014).…”

Section: The Toxicity Of Parathion and Paraoxonsupporting

confidence: 91%

Cytotoxic effects of parathion, paraoxon, and their methylated derivatives on a mouse neuroblastoma cell line NB41A3

Wang

Kim

Walker

et al. 2019

Fundam. Toxicol. Sci.

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-Organophosphorus compounds (OPCs) are widely used as pesticides, but often show high toxicity in mammalian cells. To assess the toxic potential of OPCs, we examined the cytotoxicity of paraoxon, methyl-paraoxon, parathion, and methyl-parathion exposures on NB41A3 neuroblastoma mouse cell lines. The LC50s (median lethal concentrations) at 24 hr of exposure were determined from the acute toxicity test including time course experiments. The LC50 values suggest higher toxicity of paraoxon (0.42 mM) compared to parathion (0.66 mM). In addition, the methylated derivatives of both OPCs indicated similar but slightly lower levels of toxicity compared to paraoxon and parathion (0.46 mM for methyl-paraoxon and 0.77 mM for methyl-parathion). However, the results from time course experiments indicated obvious reduction of cell viability for parathion and methyl-parathion as early as 1 hr of exposure, whereas the effects of paraoxon and methyl-paraoxon were not significant before 6 hr of exposure. We also report the most affected biological processes in NB41A3 cells in response to parathion exposure using microarray experiment. Among the statistically overrepresented biological processes are the ones related to neuronal development, apoptosis, cell stress, and cell signaling.

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Section: The Toxicity Of Parathion and Paraoxonsupporting

confidence: 91%

Cytotoxic effects of parathion, paraoxon, and their methylated derivatives on a mouse neuroblastoma cell line NB41A3

Wang

Kim

Walker

et al. 2019

Fundam. Toxicol. Sci.

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“…Both fenpropathrin and lambda-cyhalothrin along with pyrethrum, which was also evaluated within our assay, are sodium channel modulators (Qiu et al, 2007, Sparks andNauen, 2015). Spinosad targets nicotinic acetylcholine receptors (Salgado, 1998, Sparks andNauen, 2015) whilst malathion targets acetylcholinesterase (Can, 2014). It is likely that chronotoxic effects are not implicated in Drosophila to all insecticides or that specific classes or modes of action exhibit this effect.…”

Section: Suzukiimentioning

confidence: 96%

Implications of sub-lethal rates of insecticides and daily time of application on Drosophila suzukii lifecycle

et al. 2019

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The circadian clock is responsible for time keeping within an organism and influences not only behavioural patterns, but also physiological rhythms including toxin susceptibility. Drosophila suzukii Matsumura is a global horticultural pest, and identifying rhythms in insecticide susceptibility could contribute to improving integrated pest management practices. To determine whether time of application influences mortality, LC50 rates of cyantraniliprole, lambda-cyhalothrin, pyrethrum and spinosad were applied to groups of adult D. suzukii at two different times of day. Insecticides were directly applied using a benchtop sprayer. We found no influence of time on mortality or oviposition for any of the four insecticides applied. However, several discoveries were made regarding the impact of sub-lethal and lethal rates on D. suzukii mortality, oviposition and offspring survival over time. In most cases, all surviving females recovered from insecticide rates, and laid the same number of eggs as females treated with the water control. Seven days after application, females that were treated with the field rate of spinosad laid the same number of eggs as the control. The lowest rate of cyantraniliprole resulted in more eggs being laid, initially, with no negative impact on survival of eggs through to adult emergence. However, there were transgenerational impacts of egg to adult survival when parents were treated with sub-lethal rates of spinosad and lambda-cyhalothrin. Although no impact of daily phase of application was detected within this assay, the information surrounding how D. suzukii interacts with lethal and sub-lethal rates of insecticides is of great importance, especially for the resistance management of D. suzukii.

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“…El error de la validación debe ser cercano a cero, el valor PRESS debe ser menor a SSY y la expresión PRESS/SSY debe ser menor a 0.4 y si el valor es 0.1 quiere decir que el modelo significativamente aceptable. Todos estos es para demostrar que los modelos desarrollados tienen buena predicción y puede considerarse estadísticamente significativos (Can, 2014). Los modelos anteriormente mencionados (Ecuaciones 1 y 2) cumplen con dichos parámetros estadísticos El modelo M1 utiliza el descriptor RDF040v (radial distribution function -4.0 / weighted by atomic van der Waals volumes), que forma parte de los descriptores de función de distribución radial, donde R es la distancia que puede tener valores de 1.0 a 15.5 Å, por consiguiente, las parejas con valores cercanos a R juegan un rol importante en el descriptor, además proporciona información sobre longitudes de enlace, tipos de anillos, sistemas planos y no planos, tipos de átomos y peso molecular (Li et al, 2008).…”

Section: Resultsunclassified

Modelado de las Relaciones Cuantitativas Estructura-Actividad (QSAR) de Análogos del Tipifarnib con Actividad Antichagásica

2019

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En este trabajo aplicamos el procedimiento Relación Cuantitativa Estructura-Actividad (RCEA, o QSAR por sus siglas en inglés) a 33 compuestos derivados del Tipifarnib. Esto con el objetivo de identificar las características estructurales responsables de la actividad antichagásica contra el parasito del Tripanosomas cruzi, realizando una simulación con 33 análogos del Tipiofanib al nivel de teoría B3LYP/6-31+(d,p), seguido de la evaluación de 1632 descriptores en la plataforma E-Dragon online. Los descriptores RDF040v, E1p y R3e se utilizaron para construir los modelos, presentando buena calidad estadística. La validación presento valores de R 2 =0.89, Q 2 =0.86 y un R 2 m=0.47. Las 18 moléculas que se proponen muestran un gran potencial farmacológico, particularmente, los compuestos 52, 53, 54 y 55 que presentan un alto potencial de actividad EC50 con valores estimados de 0.33, 0.18, 0.18, y 0.34 nM respectivamente.

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Quantitative structure–toxicity relationship (QSTR) studies on the organophosphate insecticides

Cited by 25 publications

References 23 publications

Cytotoxic effects of parathion, paraoxon, and their methylated derivatives on a mouse neuroblastoma cell line NB41A3

Cytotoxic effects of parathion, paraoxon, and their methylated derivatives on a mouse neuroblastoma cell line NB41A3

Implications of sub-lethal rates of insecticides and daily time of application on Drosophila suzukii lifecycle

Modelado de las Relaciones Cuantitativas Estructura-Actividad (QSAR) de Análogos del Tipifarnib con Actividad Antichagásica

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