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Related Concept Videos

Toxicokinetics: Overview01:21

Toxicokinetics: Overview

97
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...
97
Drug Toxicity: Overview01:00

Drug Toxicity: Overview

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Drug toxicity quantifies the harm a compound causes to an organism, varying by dose and potentially impacting whole systems or specific organs like the liver. Toxic reactions may arise from venomous insect or spider bites, with effects ranging from mild symptoms to severe outcomes such as brain damage or death. Common forms of acute poisoning include ethanol intoxication and overdose of pain or fever medications, with substances like GHB and heroin being particularly lethal at doses close to...
81
Toxidromes: Clinical Features01:30

Toxidromes: Clinical Features

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Toxidromes are specific patterns of symptoms resulting from toxic substance exposure. They help in the identification and treatment of poisoning. The symptoms of each toxidrome group indicate poisoning by a certain class of chemicals or drugs.1. Sympathomimetic: Stimulates the sympathetic nervous system. Symptoms include agitation, increased heart rate (HR), blood pressure (BP), respiratory rate (RR), temperature, and pupil size. Drugs like cocaine and amphetamines, along with tremors and...
47
Drug toxicity: Drug–Drug Interaction01:30

Drug toxicity: Drug–Drug Interaction

110
Drug–drug interactions can precipitate toxicity through multiple mechanisms. Absorption interactions alter how drugs enter the body, exemplified when ranitidine increases the absorption of basic drugs, while cholestyramine decreases the levels of propranolol. Protein binding interactions occur when drugs share the same binding sites on plasma proteins. Drugs like aspirin and warfarin, when bound in excess, can lead to increased free drug concentrations, enhancing the potential for...
110
Protein Networks02:26

Protein Networks

4.6K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
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Toxic Reactions: Overview01:26

Toxic Reactions: Overview

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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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Comprehensive Network Map of ADME-Tox Databases.

Baptiste Canault1, Stéphane Bourg1, Philippe Vayer2

  • 1Institut de Chimie Organique et Analytique (ICOA), Université d'Orléans et CNRS, UMR7311, BP 6759, 45067, Orléans, France.

Molecular Informatics
|June 30, 2017
PubMed
Summary
This summary is machine-generated.

This study introduces an interactive database network to identify reliable data sources for drug development. It aids in building robust predictive models by improving pharmacokinetic and toxicity predictions for lead compounds.

Keywords:
ADME-ToxDatabaseNetworkPPB

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Area of Science:

  • Computational chemistry
  • Drug discovery
  • Bioinformatics

Background:

  • Poor pharmacokinetics (PK) and toxicity are major causes of drug development failures.
  • Predictive Quantitative Structure-Activity Relationship (QSAR) models are limited by data scarcity and experimental variability.
  • The increasing number of biological databases presents challenges in data source and quality assessment.

Purpose of the Study:

  • To develop an interactive network of databases for identifying relevant data sources for ADME-Tox parameters.
  • To facilitate the selection of robust datasets for QSAR modeling.
  • To address the challenge of determining data source and quality in drug development.

Main Methods:

  • An interactive network of databases was proposed to map online data sources for ADME-Tox parameters.
  • Information on data scope, availability, and redundancy was provided for each source.
  • Data mining from the network was illustrated using plasma protein binding (PPB) data.

Main Results:

  • The interactive network allows users to easily find online data sources for ADME-Tox parameters.
  • Information regarding data scope, availability, and redundancy is accessible for each data source.
  • A dataset of 2,606 unique molecules with experimental PPB values was extracted from DrugBank, PubChem, and ChEMBL.

Conclusions:

  • The proposed interactive network aids in identifying reliable data sources for QSAR modeling.
  • The extracted PPB dataset provides a consistent foundation for developing robust predictive models.
  • This approach can improve the efficiency and success rate of drug development by enhancing PK and toxicity predictions.