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

Drug Discovery: Overview01:26

Drug Discovery: Overview

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...
Structure-Activity Relationships and Drug Design01:28

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...
Protein-protein Interfaces02:04

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a polypeptide...
Protein Networks02:26

Protein Networks

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,...
Protein Networks02:26

Protein Networks

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,...
Quantitative Aspects of Drug-Receptor Interaction01:30

Quantitative Aspects of Drug-Receptor Interaction

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 Kd...

You might also read

Related Articles

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

Sort by
Same author

Genome-wide analyses of Mycobacterium tuberculosis complex isolates reveal insights into circulating lineages and drug resistance mutations in The Gambia.

Scientific reports·2026
Same author

Cryo-EM structures of NHEJ assemblies with nucleosomes.

Nature communications·2025
Same author

Metabolic control of porin permeability influences antibiotic resistance in Escherichia coli.

Nature microbiology·2025
Same author

Similarity of drug targets to human microbiome metaproteome promotes pharmacological promiscuity.

The pharmacogenomics journal·2025
Same author

Cell envelope polysaccharide modifications alter the surface properties and interactions of <i>Mycobacterium abscessus</i> with innate immune cells in a morphotype-dependent manner.

mBio·2025
Same author

Structure-based drug design with equivariant diffusion models.

Nature computational science·2024

Related Experiment Video

Updated: May 9, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

CREDO: a structural interactomics database for drug discovery.

Adrian M Schreyer1, Tom L Blundell

  • 1Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, CB2 1GA Cambridge, UK. ams214@cam.ac.uk

Database : the Journal of Biological Databases and Curation
|July 23, 2013
PubMed
Summary

CREDO is a relational database detailing atomic interactions between molecules in experimentally determined structures. This resource aids drug discovery by providing comprehensive chemical and biological analysis tools.

Related Experiment Videos

Last Updated: May 9, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

Area of Science:

  • Structural Biology
  • Cheminformatics
  • Drug Discovery

Background:

  • Experimental structures provide valuable atomic interaction data.
  • Integrating chemical and biological information enhances structural analysis.
  • Existing databases may lack comprehensive pairwise atomic interaction data.

Purpose of the Study:

  • To introduce CREDO, a novel relational database.
  • To store and analyze inter- and intra-molecular atomic interactions.
  • To facilitate drug discovery through advanced data integration and analysis.

Main Methods:

  • Developed a relational database to store pairwise atomic interactions.
  • Integrated data from experimentally determined structures in the Protein Data Bank.
  • Implemented cheminformatics routines and algorithms for data analysis.
  • Created a web-based interface, data downloads, and web services for accessibility.

Main Results:

  • CREDO successfully stores extensive pairwise atomic interaction data.
  • The database integrates diverse chemical and biological information.
  • Developed a comprehensive platform for analyzing molecular interactions.
  • Provided accessible data through web interface, downloads, and web services.

Conclusions:

  • CREDO offers a unique resource for studying molecular interactions.
  • The database serves as a valuable platform for drug discovery research.
  • Accessible data and analysis tools promote further scientific investigation.