Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

1.6K
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...
1.6K
Drug Discovery: Overview01:26

Drug Discovery: Overview

10.7K
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
10.7K
Analysis of Population Pharmacokinetic Data01:12

Analysis of Population Pharmacokinetic Data

602
Analysis of population pharmacokinetic data involves studying the behavior of drugs within diverse populations to understand their pharmacokinetic parameters. Traditional pharmacokinetic methods typically involve collecting samples from a few individuals and estimating these parameters. While these methods are commonly used, they have limitations in capturing the variability in drug response among individuals or heterogeneous populations. Population pharmacokinetics is employed to address these...
602
Quantitative Aspects of Drug-Receptor Interaction01:30

Quantitative Aspects of Drug-Receptor Interaction

1.6K
The receptor occupancy theory connects a drug's response to the number of occupied receptors. With higher drug concentrations, more receptors are occupied, leading to increased responses. The formation of drug-receptor complexes involves association and dissociation rates, which reach equilibrium when the forward and backward reactions are equal. The equilibrium association constant (Ka) and its inverse, the equilibrium dissociation constant (Kd), indicate drug affinity. Higher Ka and lower...
1.6K
Targets for Drug Action: Overview01:26

Targets for Drug Action: Overview

9.8K
Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
9.8K
Ligand Binding Sites02:40

Ligand Binding Sites

8.5K
8.5K

You might also read

Related Articles

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

Sort by
Same author

On the state of protein function prediction: a report on the fourth CAFA challenge.

bioRxiv : the preprint server for biology·2026
Same author

Molecular contrastive learning with graph attention network (MoCL-GAT) for enhanced molecular representation.

BMC bioinformatics·2026
Same author

AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses.

Communications biology·2025
Same author

OmniPath: integrated knowledgebase for multi-omics analysis.

Nucleic acids research·2025
Same author

Mitochondrial one-carbon metabolism is required for TGF-β-induced glycine synthesis and fibrotic responses.

Nature communications·2025
Same author

Mpox: disease manifestations and therapeutic development.

Journal of virology·2025

Related Experiment Video

Updated: Dec 21, 2025

A Web Tool for Generating High Quality Machine-readable Biological Pathways
08:01

A Web Tool for Generating High Quality Machine-readable Biological Pathways

Published on: February 8, 2017

18.4K

iBioProVis: interactive visualization and analysis of compound bioactivity space.

Ataberk Donmez1, Ahmet Sureyya Rifaioglu1,2, Aybar Acar3

  • 1Department of Computer Engineering, METU, Ankara 06800, Turkey.

Bioinformatics (Oxford, England)
|May 15, 2020
PubMed
Summary

iBioProVis visualizes compound bioactivity, aiding drug discovery by mapping similar compounds and potential drug targets. This tool helps identify new binders and predict drug efficacy for proteins like ACE2.

More Related Videos

Rapid Analysis and Exploration of Fluorescence Microscopy Images
11:41

Rapid Analysis and Exploration of Fluorescence Microscopy Images

Published on: March 19, 2014

12.6K
Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish
07:50

Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish

Published on: July 16, 2012

14.6K

Related Experiment Videos

Last Updated: Dec 21, 2025

A Web Tool for Generating High Quality Machine-readable Biological Pathways
08:01

A Web Tool for Generating High Quality Machine-readable Biological Pathways

Published on: February 8, 2017

18.4K
Rapid Analysis and Exploration of Fluorescence Microscopy Images
11:41

Rapid Analysis and Exploration of Fluorescence Microscopy Images

Published on: March 19, 2014

12.6K
Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish
07:50

Facilitating Drug Discovery: An Automated High-content Inflammation Assay in Zebrafish

Published on: July 16, 2012

14.6K

Area of Science:

  • Computational chemistry and cheminformatics.
  • Drug discovery and development.
  • Bioinformatics and data visualization.

Background:

  • Understanding compound bioactivity is crucial for identifying potential drug candidates and their targets.
  • Existing methods for analyzing compound-target interactions can be complex and lack intuitive visualization.
  • The need for interactive tools to explore the chemical space and predict drug-target relationships is growing.

Purpose of the Study:

  • To develop an interactive tool, iBioProVis, for visualizing compound bioactivity.
  • To facilitate the identification of novel drug binders and potential targets using dimensionality reduction techniques.
  • To provide a user-friendly platform for exploring drug-target relationships and compound structural similarities.

Main Methods:

  • Utilized t-Distributed Stochastic Neighbor Embedding (t-SNE) for non-linear dimensionality reduction and 2D compound space mapping.
  • Integrated Principal Component Analysis (PCA) for an alternative projection of compound data.
  • Cross-referenced compound information with established databases for detailed analysis.

Main Results:

  • Developed iBioProVis, an interactive tool for visual analysis of compound bioactivity.
  • Demonstrated the tool's utility in identifying structurally similar compounds and potential drug targets.
  • Showcased a use-case with Angiotensin-Converting Enzyme 2 (ACE2) and SARS-CoV-2 related compounds, highlighting clinically relevant drugs.

Conclusions:

  • iBioProVis effectively visualizes compound bioactivity and structural relationships.
  • The tool aids in inferring new binders for target proteins and potential targets for compounds.
  • iBioProVis offers a valuable resource for drug discovery and development research.