Kinetics of the metabolic effects, distribution spaces and lipid-bilayer affinities of the organo-chlorinated herbicides 2,4-D and picloram in the liver

Salla, Gabriela Bueno Franco; Bracht, Lívia; Parizotto, Ângela Valderrama; Comar, Jurandir Fernando; Peralta, Rosane Marina; Bracht, Fabrício; Bracht, Adelar

doi:10.1016/j.toxlet.2019.06.008

Cited by 24 publications

(3 citation statements)

References 39 publications

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“…The bilayer height was implemented in the z -axis. A POPC lipid bilayer model is generally selected for many in silico studies [ 24 ], including Aβ-lipid bilayer interaction studies [ 9 , 12 , 25 , 26 ], due to the proximity of its dynamical parameters to the experimental results [ 24 ].…”

Section: Methodsmentioning

confidence: 99%

Potential Anti-Alzheimer Agents from Guanidinyl Tryptophan Derivatives with Activities of Membrane Adhesion and Conformational Transition Inhibitions

et al. 2021

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Guanidinyl tryptophan derivatives TGN1, TGN2, TGN3, and TGN4 were synthesized, and these compounds were shown to possess in vitro inhibitory activity for amyloid aggregation in a previous study. Nevertheless, the influence of the TGN series of compounds on the binding and permeation behaviors of an Aβ monomer to the cell membranes was not elucidated. In this study, we investigated the effect of compounds in the TGN series on the behavior of an Aβ monomer regarding its toxicity toward the bilayer lipid membrane using molecular dynamics (MD) simulation. MD simulations suggest that TGN4 is a potential agent that can interfere with the movement of the Aβ monomer into the membrane. The MM-GBSA result demonstrated that TGN4 exhibits the highest affinity to the Aβ1–42 monomer but has the lowest affinity to the bilayer. Moreover, TGN4 also contributes to a decrease in the binding affinity between the Aβ1–42 monomer and the POPC membrane. Regarding the results of the binding mode and conformational analyses, a high number of amino-acid residues were shown to provide the binding interactions between TGN4 and the Aβ1–42 monomer. TGN4 also reduces the conformational transition of the Aβ1–42 monomer by means of interacting with the monomer. The present study presents molecular-level insights into how the TGN series of compounds affect the membrane adsorption and the conformational transition of the Aβ1–42 monomer, which could be valuable for the further development of new anti-Alzheimer agents.

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Section: Methodsmentioning

confidence: 99%

Potential Anti-Alzheimer Agents from Guanidinyl Tryptophan Derivatives with Activities of Membrane Adhesion and Conformational Transition Inhibitions

et al. 2021

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“…Several methods exist for removing pesticides from wastewater, and the choice depends on factors like pesticide types, concentrations, and wastewater characteristics [ 5 ]. Common techniques include activated carbon adsorption, where carbon removes pesticides by adsorption; biological treatment, using microorganisms for biodegradation; chemical oxidation, breaking down pesticides with strong oxidants; membrane filtration, utilizing semipermeable membranes like RO and NF; chemical coagulation/flocculation, forming clumps for removal; and adsorbent materials like zeolites and activated alumina [ 6 ]. The effectiveness varies, so a combination of processes may be needed, with regular monitoring and maintenance essential for consistent pesticide removal [ 7 ].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterization and adsorption optimization of bimetallic La–Zn metal organic framework for removal of 2,4-dichlorophenylacetic acid

Alaysuy,

Aljohani,

Alkhamis

et al. 2024

Heliyon

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“…Some rather herbicides have been frequently detected in freshwater environments (rivers, lakes, pond, etc.) worldwide, with the concentrations being around 1 to 104 ng/L [15,16]. Ultimately, coastal pollution of herbicides and their negative impact on marine life also been reported in recent years [12,17].…”

Section: Introductionmentioning

confidence: 99%

Occurrence and Removal of Triazine Herbicides during Wastewater Treatment Processes and Their Environmental Impact on Aquatic Life

Wang

Deng

et al. 2022

IJERPH

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Wastewater treatment plants (WWTPs) represent a major point source for pesticide residue entry to aquatic environment and may threaten ecosystems and biodiversity in urban area. Triazine herbicides should be paid attention to for their ubiquitous occurrence in the environment and long-term residue. The present study aimed to quantify eleven compounds of triazine herbicides during wastewater treatment processes. The solid phase extraction and gas-chromatography mass spectrometry (GC-MS) determination method were developed to identify the target herbicides with approving sensitivity. The pollution levels, removal rates of eleven triazine herbicides along five different treatment stages in WWTP were investigated. The results showed that three herbicides including atrazine, simetryn and prometryn were detected. Their concentrations in influent were among 28.79 to 104.60 ng/L. Their total removal rates from influent to effluent were 14.92%, 10.79% and 4.41%, respectively indicating that they were difficult to be effectively remove during wastewater treatment. Regarding the negative impact of triazine herbicides discharged from WWTPs on downstream water quality and aquatic life, the environmental risks were assessed by calculating the Environmental Relevance of Pesticides from Wastewater Treatment Plants Index (ERPWI) and water cycle spreading index (WCSI). The risk assessment results denoted the possible high risks for atrazine and simetryn to alage, and simetryn concurrently posed a high risk for the daphnia, while prometryn was at medium risk to alage. Atrazine and simetryn in effluent posed high risk for algae, meanwhile, simetryn had high risk for Daphnia. These results suggested a possible threat to the aquatic environment, rendering in this way the ERPWI method as a useful assessment tool. Further extensive study is needed for atrazine and simetryn in order to better understand their migration mechanism in aquatic environment.

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Kinetics of the metabolic effects, distribution spaces and lipid-bilayer affinities of the organo-chlorinated herbicides 2,4-D and picloram in the liver

Cited by 24 publications

References 39 publications

Potential Anti-Alzheimer Agents from Guanidinyl Tryptophan Derivatives with Activities of Membrane Adhesion and Conformational Transition Inhibitions

Potential Anti-Alzheimer Agents from Guanidinyl Tryptophan Derivatives with Activities of Membrane Adhesion and Conformational Transition Inhibitions

Synthesis, characterization and adsorption optimization of bimetallic La–Zn metal organic framework for removal of 2,4-dichlorophenylacetic acid

Occurrence and Removal of Triazine Herbicides during Wastewater Treatment Processes and Their Environmental Impact on Aquatic Life

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