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

The Equilibrium Binding Constant and Binding Strength02:18

The Equilibrium Binding Constant and Binding Strength

14.7K
The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
14.7K
Ligand Binding Sites02:40

Ligand Binding Sites

14.8K
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...
14.8K
Conserved Binding Sites01:49

Conserved Binding Sites

5.0K
Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally...
5.0K
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

5.4K
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...
5.4K
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

You might also read

Related Articles

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

Sort by
Same author

Neuroinflammation in Epilepsy: Biochemical and Molecular Mechanisms and Implications for Natural Product-Driven Drug Discovery.

International journal of molecular sciences·2026
Same author

Anti-inflammatory potential of the CISACN adduct in LPS-induced murine models.

Inflammopharmacology·2026
Same author

Ribifolones A-H, New Macrocyclic Diterpenes from <i>Jatropha ribifolia</i>, Their Cytotoxic Activity and Insights Supported by Network Pharmacology and Molecular Modeling.

Molecules (Basel, Switzerland)·2026
Same author

Redox Disruption Induced by Saquayamycin B1 Promotes Cytotoxicity in Resistant Melanoma Cells.

ChemMedChem·2026
Same author

A Review of Pathophysiology and Computational Studies of Isoeugenol Derived Acetamides against Alzheimer's Disease.

Current topics in medicinal chemistry·2026
Same author

Tiliroside From Pavonia malacophylla (Link & Otto) Garcke as an Anti-SARS-CoV-2 Cell Entry Agent.

Chemistry & biodiversity·2026

Related Experiment Video

Updated: Dec 29, 2025

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

1.0K

Consensus Analyses in Molecular Docking Studies Applied to Medicinal Chemistry.

Mayara Dos Santos Maia1, Gabriela Cristina Soares Rodrigues1, Andreza Barbosa Silva Cavalcanti1

  • 1Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraiba, Joao Pessoa-PB, Brazil.

Mini Reviews in Medicinal Chemistry
|February 5, 2020
PubMed
Summary

Consensus docking enhances virtual screening in drug design by combining multiple algorithms to improve accuracy and reduce false positives. Understanding its application and scoring strategies is crucial for reliable results.

Keywords:
Molecular dockingconsensus analysisconsensus scoring strategiesmedicinal chemistrystatistical modelsvirtual screening

More Related Videos

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
05:08

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

Published on: July 8, 2025

834
Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

3.5K

Related Experiment Videos

Last Updated: Dec 29, 2025

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

1.0K
Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
05:08

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

Published on: July 8, 2025

834
Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

3.5K

Area of Science:

  • Computational chemistry
  • Medicinal chemistry
  • Drug design

Background:

  • Molecular docking is a key technique in Computer-Aided Drug Design.
  • Consensus analysis of docking improves reliability and reduces false positives in virtual screening.
  • Existing consensus scoring strategies can be complex and lack reliability due to limited datasets.

Purpose of the Study:

  • To explore different approaches to consensus docking.
  • To present successful applications and scoring strategies for consensus docking.
  • To guide the effective use of consensus docking in future studies.

Main Methods:

  • Review of existing literature on consensus docking.
  • Analysis of various consensus scoring strategies.
  • Discussion of successful applications in virtual screening.

Main Results:

  • Consensus docking offers a promising approach to overcome limitations of individual docking algorithms.
  • Careful selection of consensus strategies and scoring methods is essential for success.
  • Understanding the 'why, when, and how' of consensus docking is necessary for its effective implementation.

Conclusions:

  • Consensus docking is a valuable tool for enhancing virtual screening in drug discovery.
  • Further research into robust consensus scoring strategies is warranted.
  • This study provides a framework for applying consensus docking effectively.