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Related Concept Videos

Toxicokinetics: Overview01:21

Toxicokinetics: Overview

Studies that assess how a drug is absorbed, distributed, metabolized, and excreted (ADME) at toxic doses are termed toxicokinetics. Understanding toxicokinetics helps predict adverse drug reactions (ADRs) and manage toxicity in humans.Toxicokinetics differs from pharmacokinetics mainly in the dose levels studied, with toxicokinetics focusing on higher toxic doses. The kinetics at these levels can be non-linear due to altered physiological processes. Toxicodynamics examines the relationship...
Toxicity Testing in Animals01:23

Toxicity Testing in Animals

Toxicity tests in animals are grounded on two main assumptions: first, the effects observed in laboratory animals can be extrapolated to humans, especially when adjusted for body surface area; second, high-dose exposure in animals is essential to identify potential human hazards from lower doses. This is based on the quantal dose-response concept, which faces the challenge of extrapolating results from relatively few test animals to much larger human populations. For example, a 0.01% incidence...
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Toxic Reactions: Overview

When toxic substances penetrate the human body, they disseminate to various tissues, undergoing metabolic changes. This process yields reactive metabolites that may covalently bind with specific target molecules, resulting in toxicity.
Toxicity falls into two primary categories: local and systemic.
Local toxicity appears at the exposure site, such as protein denaturation caused by caustic substances.
In contrast, systemic toxicity requires the toxic agent's absorption and distribution,...
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Bioactivation and Tissue Toxicity

Bioactivation is a metabolic process that transforms less reactive substances into highly reactive metabolites, initiating tissue toxicity. This transformation can lead to various toxic effects, including carcinogenesis and teratogenesis. Reactive metabolites are classified into two main types: electrophiles and free radicals.Electrophiles are electron-deficient species and are produced primarily by the enzyme cytochrome P-450 during the metabolism of compounds containing carbon, nitrogen, or...
Types of Toxins01:36

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Humans continually engage with an environment rich in potentially harmful chemicals. These are introduced to our bodies through inhalation, ingestion, or skin contact. These chemicals exist in various forms, such as air and environmental pollutants, agricultural chemicals, organic solvents, and heavy metals.
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Environmental pollutants like...
Bioremediation00:46

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Bioremediation is the use of prokaryotes, fungi, or plants to remove pollutants from the environment. This process has been used to remove harmful toxins in groundwater as a byproduct of agricultural run-off and also to clean up oil spills.

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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox

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Systems biology tools for toxicology.

Suzanne Geenen1, Peter Neal Taylor, Jacky L Snoep

  • 1Manchester Centre for Integrative Systems Biology, University of Manchester, UK.

Archives of Toxicology
|May 10, 2012
PubMed
Summary

Systems biology tools can predict drug toxicity by modeling intracellular networks. This approach, using the glutathione network as an example, helps understand unexpected adverse effects and aids drug development.

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Area of Science:

  • Toxicology and Systems Biology
  • Computational and Molecular Toxicology

Background:

  • Adverse drug effects often appear unexpectedly in humans, despite in vitro and animal testing.
  • Understanding xenobiotic impact on complex intracellular networks is crucial for predicting toxicity.
  • Systems biology offers a framework to integrate molecular data and understand network behavior.

Purpose of the Study:

  • To review how in silico systems biology tools can aid toxicology in understanding network-mediated toxicity.
  • To demonstrate the application of these tools using the glutathione network.
  • To explore the utility of systems biology in drug development.

Main Methods:

  • Kinetic modeling
  • Metabolic control analysis
  • Robustness analysis
  • Flux analysis
  • Simulation of the glutathione network

Main Results:

  • Systems biology tools can elucidate the steady-state behavior of detoxification networks.
  • These tools allow simulation and understanding of counterintuitive effects from pathway perturbations.
  • A glutathione model explained how molecular perturbations, including single-nucleotide polymorphisms, impact glutathione levels and biomarkers.

Conclusions:

  • In silico systems biology tools are valuable for understanding network-mediated toxicity.
  • The glutathione network serves as a model for applying these computational approaches.
  • Systems biology methods can assist in various stages of pharmaceutical drug development.