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

Finding Electric Potential From Electric Field01:13

Finding Electric Potential From Electric Field

5.6K
For a system of charges, it is easy to calculate the system's potential because potential is a scalar quantity. However, in some instances where calculating the electric field is more straightforward than finding the potential, the electric field is used to calculate the system's potential. For a positive charge, the electric field is radially outward, and the potential is positive at any finite distance from the positive charge. In such an electric field, the motion away from the...
5.6K
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

24.3K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
24.3K
Ligand Binding Sites02:40

Ligand Binding Sites

15.1K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
15.1K
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

5.6K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
5.6K
Finding the Center of Gravity01:03

Finding the Center of Gravity

4.4K
The center of gravity of a body is an imaginary point where the body's total weight is assumed to be concentrated, and the body is perfectly balanced. The center of the mass of a body is a point at which the whole of the mass of the body appears to be concentrated. If the acceleration due to gravity, g, has the same value at all points on a body, its center of gravity is identical to its center of mass. The center of gravity of homogeneous bodies such as a sphere, cube, or rectangular plate...
4.4K
Respiratory System Abnormal Finding I: Inspection and Percussion01:30

Respiratory System Abnormal Finding I: Inspection and Percussion

831
Respiratory system abnormalities are a significant concern in healthcare due to their potential to indicate underlying severe conditions like Chronic Obstructive Pulmonary Disease (COPD), asthma, and pneumonia. These abnormalities can often be detected through physical examination methods like inspection and percussion.
Inspection Findings
During an inspection, several findings may suggest the presence of respiratory distress or disease. Pursed-lip breathing, where exhalation is slowed by...
831

You might also read

Related Articles

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

Sort by
Same author

Mood Altering Waters: Multidimensional Profiling and Chiral Characterization of Antidepressants in Effluent-Impacted Waterways.

Environmental science & technology·2026
Same author

Unlocking the Bile Acid Universe: Advanced Workflows and a Multidimensional Library of 280 Unique Species.

bioRxiv : the preprint server for biology·2026
Same author

Summarizing relationships between chemicals, genes, proteins, and diseases in PubChem using analysis of their co-occurrences in patents.

Journal of cheminformatics·2025
Same author

Database resources of the National Center for Biotechnology Information in 2026.

Nucleic acids research·2025
Same author

Reporting Chemical Data in the Environmental Sciences.

ACS environmental Au·2025
Same author

Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry.

Communications chemistry·2025
Same journal

Mapping the 3D Chromosome Organization of a Biosynthetic Gene Cluster by Capture Hi-C (CHi-C).

Methods in molecular biology (Clifton, N.J.)·2026
Same journal

Mapping the 3D Chromosome Organization of Streptomyces by Hi-C.

Methods in molecular biology (Clifton, N.J.)·2026
Same journal

CUT&Tag Epigenomic Profiling of Biosynthetic Gene Clusters in Arabidopsis thaliana.

Methods in molecular biology (Clifton, N.J.)·2026
Same journal

Rhizobium rhizogenes-Mediated Hairy Root Transformation Protocol for Lotus japonicus and Other Legumes.

Methods in molecular biology (Clifton, N.J.)·2026
Same journal

Characterization of Bioactive Saponins from Sea Cucumbers.

Methods in molecular biology (Clifton, N.J.)·2026
Same journal

Methods for Functional Validation of Terpenoid Metabolic Clusters in Nicotiana benthamiana and Aspergillus oryzae.

Methods in molecular biology (Clifton, N.J.)·2026
See all related articles

Related Experiment Video

Updated: Feb 3, 2026

Cell Aggregation Assays to Evaluate the Binding of the Drosophila Notch with Trans-Ligands and its Inhibition by Cis-Ligands
05:48

Cell Aggregation Assays to Evaluate the Binding of the Drosophila Notch with Trans-Ligands and its Inhibition by Cis-Ligands

Published on: January 2, 2018

8.0K

Finding Potential Multitarget Ligands Using PubChem.

Sunghwan Kim1, Benjamin A Shoemaker2, Evan E Bolton2

  • 1Department of Health and Human Services, National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA. kimsungh@ncbi.nlm.nih.gov.

Methods in Molecular Biology (Clifton, N.J.)
|October 19, 2018
PubMed
Summary
This summary is machine-generated.

This chapter details how to discover potential multitarget ligands using PubChem, a US National Institutes of Health resource. The protocol can be used interactively or programmatically for drug discovery experiments.

Keywords:
E-UtilitiesEntrezFLinkMultitarget ligandPUG-RESTPubChemVirtual screening

More Related Videos

A BW Reporter System for Studying Receptor-Ligand Interactions
06:05

A BW Reporter System for Studying Receptor-Ligand Interactions

Published on: January 7, 2019

8.1K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

2.1K

Related Experiment Videos

Last Updated: Feb 3, 2026

Cell Aggregation Assays to Evaluate the Binding of the Drosophila Notch with Trans-Ligands and its Inhibition by Cis-Ligands
05:48

Cell Aggregation Assays to Evaluate the Binding of the Drosophila Notch with Trans-Ligands and its Inhibition by Cis-Ligands

Published on: January 2, 2018

8.0K
A BW Reporter System for Studying Receptor-Ligand Interactions
06:05

A BW Reporter System for Studying Receptor-Ligand Interactions

Published on: January 7, 2019

8.1K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

2.1K

Area of Science:

  • Chemical informatics
  • Drug discovery
  • Computational chemistry

Background:

  • PubChem is a vital chemical information database maintained by the US National Institutes of Health.
  • Identifying multitarget ligands is crucial for developing effective therapeutics.
  • Existing methods for ligand discovery can be time-consuming and complex.

Purpose of the Study:

  • To provide a protocol for identifying potential multitarget ligands from the PubChem database.
  • To enable researchers to efficiently find compounds for experimental validation.
  • To offer flexible methods for accessing PubChem data, catering to both interactive and programmatic users.

Main Methods:

  • Utilizing PubChem's web-based interfaces for interactive searching.
  • Employing programmatic access interfaces like PUG-REST and E-Utilities for automated data retrieval.
  • Describing a step-by-step protocol for multitarget ligand identification.

Main Results:

  • A clear and reproducible protocol for multitarget ligand discovery from PubChem.
  • Demonstration of interactive and programmatic approaches for data extraction.
  • Identification of potential candidate ligands for further experimental testing.

Conclusions:

  • PubChem serves as a powerful resource for identifying multitarget ligands.
  • The described protocol facilitates efficient drug discovery workflows.
  • Both interactive and programmatic access methods enhance the utility of PubChem for researchers.