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

Quantitative Aspects of Drug-Receptor Interaction01:30

Quantitative Aspects of Drug-Receptor Interaction

1.7K
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...
1.7K
Protein-Drug Binding: Mechanism and Kinetics01:16

Protein-Drug Binding: Mechanism and Kinetics

1.6K
Protein-drug binding refers to the interaction between drugs and proteins within the body. This binding process can occur intracellularly, involving drug interactions with enzymes or receptors within cells, or extracellularly, involving plasma proteins in the blood.
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
1.6K
Protein-Drug Binding: Determination Methods01:22

Protein-Drug Binding: Determination Methods

561
Determining protein-drug binding can be achieved through indirect and direct methods, each providing valuable insights into the interaction between proteins and drugs.
Indirect methods involve isolating the bound drug from its free form in biological samples such as blood, serum, or plasma. These techniques aim to measure the percentage of drugs bound to proteins. Equilibrium dialysis is a commonly used method where the free drug concentration at equilibrium is measured by separating the bound...
561
Patch Clamp01:18

Patch Clamp

6.2K
Many fundamental cell functions such as muscle contraction and nerve transmission rely on the electrical signals produced by the movement of positively and negatively charged ions across the cell membrane. One competent method to record current flowing across the whole cell or single ion channel is the patch-clamp technique.
In this method, a glass micropipette containing electrolyte solution is tightly sealed against a small portion of the cell membrane. As a result, a patch of the cell...
6.2K

You might also read

Related Articles

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

Sort by
Same author

Multicenter (FX)<sub>n</sub>/NH₃ Halogen Bonds (X = Cl, Br and n = 1-5). QTAIM Descriptors of the Strength of the X∙∙∙N Interaction.

Molecules (Basel, Switzerland)·2017
Same author

Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor.

Journal of molecular modeling·2017
Same author

Simultaneous Occurrence of Quadruple Lewis Acid-Base Interactions between Selenium Atoms in Selenocarbonyl Dimers.

Chemphyschem : a European journal of chemical physics and physical chemistry·2017
Same author

Insights into the self-assembly steps of cyanuric acid toward rosette motifs: a DFT study.

Journal of molecular modeling·2017
Same author

Evolution of the hydrogen-bonding motif in the melamine-cyanuric acid co-crystal: a topological study.

Journal of molecular modeling·2016
Same author

Halogen bonding. The role of the polarizability of the electron-pair donor.

Physical chemistry chemical physics : PCCP·2016
Same journal

NMR Spectroscopy: Molecular Insights into Cell Wall Collapse and Oxidative Stress of <i>Escherichia coli</i> Induced by Imidazole-Activated Eutectic Solvents.

ACS omega·2026
Same journal

Enhanced Arsenite Remediation in Synthetic FeS<sub>2</sub>/Fe(II)-Containing Arsenic Wastewater via Epigallocatechin Gallate-Initiated Persulfate Activation.

ACS omega·2026
Same journal

Defect and Particle-Size Engineering as Mechanistic Drivers for Dye Uptake in a Zirconium Metal-Organic Framework.

ACS omega·2026
Same journal

Biogeochemical Assessment of Short-Term Hydrogen Storage in Methane Reservoirs with Field Sample Characterization and Reactor Experiments.

ACS omega·2026
Same journal

Combined Effects of Halloysite Nanotubes, Nucleating Agent, and Thermal Annealing on the Printability and Mechanical Performances of 3D-Printable Polypropylene Random Copolymer-Based Composites.

ACS omega·2026
Same journal

Effect of MoS<sub>2</sub> Interfacial Engineering across MAPbI<sub>3</sub>, FAPbI<sub>3</sub>, and CsPbI<sub>3</sub> Perovskite Solar Cells.

ACS omega·2026
See all related articles

Related Experiment Video

Updated: Jan 2, 2026

Chick Heart Invasion Assay for Testing the Invasiveness of Cancer Cells and the Activity of Potentially Anti-invasive Compounds
10:16

Chick Heart Invasion Assay for Testing the Invasiveness of Cancer Cells and the Activity of Potentially Anti-invasive Compounds

Published on: June 6, 2015

9.4K

Combining Charge Density Analysis with Machine Learning Tools To Investigate the Cruzain Inhibition Mechanism.

Adriano M Luchi1, Roxana N Villafañe1, J Leonardo Gómez Chávez1

  • 1Lab. Estructura Molecular y Propiedades, IQUIBA-NEA, Universidad Nacional del Nordeste, CONICET, FACENA, Av. Libertad 5470, Corrientes 3400, Argentina.

ACS Omega
|December 3, 2019
PubMed
Summary
This summary is machine-generated.

This study analyzed molecular interactions in Trypanosoma cruzi cruzain (Cz) inhibition. Active inhibitors mimic substrate binding, inducing conformational changes for better enzyme fit, aiding drug discovery.

More Related Videos

A Flow Cytometry-based Assay to Identify Compounds That Disrupt Binding of Fluorescently-labeled CXC Chemokine Ligand 12 to CXC Chemokine Receptor 4
06:56

A Flow Cytometry-based Assay to Identify Compounds That Disrupt Binding of Fluorescently-labeled CXC Chemokine Ligand 12 to CXC Chemokine Receptor 4

Published on: March 10, 2018

14.4K
Diagonal Method to Measure Synergy Among Any Number of Drugs
12:08

Diagonal Method to Measure Synergy Among Any Number of Drugs

Published on: June 21, 2018

19.4K

Related Experiment Videos

Last Updated: Jan 2, 2026

Chick Heart Invasion Assay for Testing the Invasiveness of Cancer Cells and the Activity of Potentially Anti-invasive Compounds
10:16

Chick Heart Invasion Assay for Testing the Invasiveness of Cancer Cells and the Activity of Potentially Anti-invasive Compounds

Published on: June 6, 2015

9.4K
A Flow Cytometry-based Assay to Identify Compounds That Disrupt Binding of Fluorescently-labeled CXC Chemokine Ligand 12 to CXC Chemokine Receptor 4
06:56

A Flow Cytometry-based Assay to Identify Compounds That Disrupt Binding of Fluorescently-labeled CXC Chemokine Ligand 12 to CXC Chemokine Receptor 4

Published on: March 10, 2018

14.4K
Diagonal Method to Measure Synergy Among Any Number of Drugs
12:08

Diagonal Method to Measure Synergy Among Any Number of Drugs

Published on: June 21, 2018

19.4K

Area of Science:

  • Biochemistry
  • Parasitology
  • Computational Biology

Background:

  • Trypanosoma cruzi causes Chagas disease.
  • The parasite's cysteine protease, cruzain (Cz), is crucial for its life cycle.
  • Understanding Cz inhibition is key for developing anti-Chagas disease therapies.

Purpose of the Study:

  • To investigate the enzyme inhibition mechanism of cruzain.
  • To analyze molecular interactions within the Cz binding cleft.
  • To correlate molecular interactions with biological activity.

Main Methods:

  • Charge density topological analysis of Cz-inhibitor complexes.
  • Machine learning classification models to categorize interactions as 'active-like' or 'inactive-like'.
  • Unsupervised learning to understand interaction patterns and conformational changes.

Main Results:

  • Molecular interactions were classified based on inhibitor activity.
  • Active inhibitors induce conformational changes in Cz, improving binding.
  • These changes resemble substrate recognition, suggesting inhibitors are treated as substrates.

Conclusions:

  • The study provides insights into cruzain inhibition mechanisms.
  • Active inhibitors effectively mimic substrate binding.
  • Findings guide virtual screening for novel non-covalent Cz inhibitors.