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

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...

You might also read

Related Articles

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

Sort by

Same author

Algorithm-driven, phenotype-directed bioactive molecular discovery.

Communications chemistry·2026

Same author

No differences in objective knee laxity measurements or patient-reported outcome measures between fixed- and adjustable-loop suspensory fixation in anterior cruciate ligament reconstruction: 1-year results from the GAP study, a prospective, double-blinded, randomized trial.

Journal of ISAKOS : joint disorders & orthopaedic sports medicine·2026

Same author

Modular Rh-Catalyzed Synthesis and Biological Profiling of Diverse Pentafluorobenzenesulfonamide Reactive Fragments.

Chemistry (Weinheim an der Bergstrasse, Germany)·2026

Same author

High-throughput discovery and characterisation of pentafluorobenzene sulfonamide modifiers of Aurora A kinase.

RSC chemical biology·2026

Same author

Clinical and genetic spectrum of Fanconi anemia in Australia and New Zealand.

Genetics in medicine open·2026

Same author

Consensus guidelines for antibacterial prophylaxis in patients with neutropenia.

Internal medicine journal·2026

Search research articles

Related Experiment Video

Updated: Jul 25, 2025

Annotation of Plant Gene Function via Combined Genomics, Metabolomics and Informatics

Annotation of Plant Gene Function via Combined Genomics, Metabolomics and Informatics

Published on: June 17, 2012

Morphological subprofile analysis for bioactivity annotation of small molecules.

Axel Pahl¹, Beate Schölermann¹, Philipp Lampe¹

¹Max Planck Institute of Molecular Physiology, Department of Chemical Biology, Otto-Hahn-Strasse 11, 44227 Dortmund, Germany.

Cell Chemical Biology

|June 29, 2023

Summary

This study introduces subprofile analysis for fast prediction of compound mode of action (MoA). This method aids in bioactivity annotation and identifying potential drug targets in chemical biology.

Keywords:

Cell Painting assay European Union Innovative Medicines Initiative bioactivity clusters mode-of-action prediction morphological profiling small molecules subprofiles

More Related Videos

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Network Pharmacology Prediction and Metabolomics Validation of the Mechanism of Fructus Phyllanthi against Hyperlipidemia

Network Pharmacology Prediction and Metabolomics Validation of the Mechanism of Fructus Phyllanthi against Hyperlipidemia

Published on: April 7, 2023

Related Experiment Videos

Last Updated: Jul 25, 2025

Annotation of Plant Gene Function via Combined Genomics, Metabolomics and Informatics

Annotation of Plant Gene Function via Combined Genomics, Metabolomics and Informatics

Published on: June 17, 2012

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Network Pharmacology Prediction and Metabolomics Validation of the Mechanism of Fructus Phyllanthi against Hyperlipidemia

Network Pharmacology Prediction and Metabolomics Validation of the Mechanism of Fructus Phyllanthi against Hyperlipidemia

Published on: April 7, 2023

Area of Science:

Computational chemistry
Chemical biology
Drug discovery

Background:

Fast prediction of compound mode of action (MoA) is crucial for bioactivity annotation and early off-target identification in drug discovery.
Morphological profiling, using assays like Cell Painting, provides rapid, unbiased compound activity assessment.
Challenges exist due to incomplete bioactivity data and unknown activities of reference compounds.

Purpose of the Study:

To introduce a novel subprofile analysis method for mapping MoA of both known and novel compounds.
To enable rapid bioactivity annotation and target identification in large compound libraries.

Main Methods:

Defined specific MoA clusters based on morphological features.
Extracted 'subprofiles' comprising a subset of morphological features for each cluster.
Developed subprofile analysis for compound MoA assignment.

Main Results:

The subprofile analysis successfully assigned compounds to twelve distinct MoA clusters.
This approach facilitates rapid bioactivity annotation of unexplored compounds.

Conclusions:

Subprofile analysis is an effective method for predicting compound MoA and accelerating bioactivity annotation.
The approach has the potential for future expansion to additional target clusters.