Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Indirect-Acting Cholinergic Agonists: Chemistry and Structure-Activity Relationship

Indirect-Acting Cholinergic Agonists: Chemistry and Structure-Activity Relationship

Indirect-acting cholinergic agonists are agents that interact with the acetylcholinesterase enzyme in the synaptic cleft, preventing the breakdown of acetylcholine into choline and acetate. Consequently, the concentration of acetylcholine in the synaptic cleft increases. These agonists can be classified into reversible and irreversible inhibitors based on their duration of action.
Reversible inhibitors display short to medium durations of action. Short-acting agents include simple alcohols with...

Structure-Activity Relationships and Drug Design

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

Toxidromes: Clinical Features

Toxidromes: Clinical Features

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...

Adrenergic Agonists: Chemistry and Structure-Activity Relationship

Adrenergic Agonists: Chemistry and Structure-Activity Relationship

Adrenergic agonists' structure-activity relationship (SAR) determines their selectivity and efficacy. These agonists comprise a phenylethylamine moiety with an aromatic ring and an ethylamine side chain.
Aromatic ring substitutions: Substituting the aromatic ring with –OH groups at positions 3 and 4 yields catecholamines (e.g., epinephrine), which have a high affinity for adrenoceptors. Hydrogen bonding between –OH groups and receptors enhances adrenergic activity.
Separation of the aromatic...

Drug Toxicity: Overview

Drug Toxicity: Overview

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...

Drug Classes and Categories

Drug Classes and Categories

Drugs can be classified according to their chemical composition or their intended therapeutic application. For instance, anti-infective agents that possess the ability to eliminate pathogens or suppress their growth and reproduction can be grouped based on the organisms they target or their chemical structure. Furthermore, drugs can be divided into prescription, nonprescription, or controlled substances. Prescription medications, such as antibiotics, require oversight from a licensed healthcare...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Membrane insertion of the mannitol permease of Escherichia coli occurs under conditions of impaired SecA function.

The Journal of biological chemistry·1992

Same author

Transgenic pigs carrying cDNA copies encoding the murine Mx1 protein which confers resistance to influenza virus infection.

Gene·1992

Same author

Low molecular weight, non-peptide fibrinogen receptor antagonists.

Journal of medicinal chemistry·1992

Same author

Light microscopical demonstration of non-specific alkaline phosphatase activity with an incubation medium containing cerium and two calcium as the capturing agents. The cerium/calcium-hydrogen peroxide-P-phenylenediamine/pyrocatechol (Ce/Ca-H2O2-PPD/PC) double capture technique.

Cellular and molecular biology (Noisy-le-Grand, France)·1992

Same author

Structure and function of the cochlea in the African mole rat (Cryptomys hottentotus): evidence for a low frequency acoustic fovea.

Journal of comparative physiology. A, Sensory, neural, and behavioral physiology·1992

Same author

ConA induced changes in energy metabolism of rat thymocytes.

Bioscience reports·1992

Search research articles

Related Experiment Video

Updated: Jul 16, 2026

High Content Screening Analysis to Evaluate the Toxicological Effects of Harmful and Potentially Harmful Constituents (HPHC)

High Content Screening Analysis to Evaluate the Toxicological Effects of Harmful and Potentially Harmful Constituents (HPHC)

Published on: May 10, 2016

Discriminating toxicant classes by mode of action: 3. Substructure indicators.

M Nendza¹, M Müller

¹Analytisches Laboratorium, Bahnhofstrasse 1, D-24816 Luhnstedt, Germany. AL-Luhnstedt@t-online.de

SAR and QSAR in Environmental Research

|March 17, 2007

Summary

A new stepwise procedure helps select quantitative structure-activity relationships (QSARs) for toxicity prediction. Combining three substructure-based classification schemes improves chemical filtering and applicability for predicting toxicity.

More Related Videos

A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English

A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English

Published on: April 3, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Related Experiment Videos

Last Updated: Jul 16, 2026

High Content Screening Analysis to Evaluate the Toxicological Effects of Harmful and Potentially Harmful Constituents (HPHC)

High Content Screening Analysis to Evaluate the Toxicological Effects of Harmful and Potentially Harmful Constituents (HPHC)

Published on: May 10, 2016

A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English

A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English

Published on: April 3, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Area of Science:

Computational toxicology
Cheminformatics
Predictive modeling

Background:

Quantitative Structure-Activity Relationships (QSARs) are crucial for predicting chemical toxicity.
Selecting appropriate QSAR models is challenging due to varying applicability domains and prediction reliability.
Substructure indicators offer a potential method for pre-filtering chemicals based on toxicity mechanisms.

Purpose of the Study:

To develop and evaluate a stepwise procedure for selecting suitable QSARs for predictive toxicology.
To assess the effectiveness of substructure indicators in pre-filtering compounds for baseline versus excess toxicity.
To improve the reliability and applicability range of QSAR-based toxicity predictions.

Main Methods:

A stepwise procedure was proposed, starting with a pre-filtering tier based on substructure indicators.
A test set of 115 chemicals across 9 Mechanism of Action (MOA) classes was used.
Contingency table statistics evaluated the performance of various classification schemes for discriminatory power.

Main Results:

No single substructure-based classification scheme provided sufficient applicability and reliability for pre-filtering chemical inventories.
The discriminatory power of different schemes varied significantly.
Combining three classification schemes demonstrated major improvements in performance.

Conclusions:

A combined approach using three classification schemes enhances the protective assignment of baseline toxicants and acceptable recognition of excess toxicants.
The combined strategy favorably increases the overall applicability range for QSAR-based toxicity prediction.
This refined procedure offers improved decision support for selecting QSARs in predictive toxicology.