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

Ligand Binding Sites02:40

Ligand Binding Sites

15.3K
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...
15.3K
Ligand Binding Sites02:40

Ligand Binding Sites

8.9K
8.9K
Transducer Mechanism: G Protein–Coupled Receptors01:30

Transducer Mechanism: G Protein–Coupled Receptors

4.5K
G Protein–Coupled Receptors (GPCRs) are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to various stimuli. GPCRs regulate critical physiological pathways and are excellent drug targets for treating diseases such as diabetes, cancer, obesity, depression, or Alzheimer's. Nearly 35% of approved drugs implement their therapeutic effects by selectively interacting with specific GPCRs.
GPCRs are also called heptahelical,...
4.5K
The Equilibrium Binding Constant and Binding Strength02:18

The Equilibrium Binding Constant and Binding Strength

15.3K
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:
15.3K
G Protein-coupled Receptors01:15

G Protein-coupled Receptors

17.9K
G Protein-Coupled Receptors or GPCRs are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to sensory stimuli such as light, odors, hormones, cytokines, or neurotransmitters.
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
17.9K
GPCRs Regulate Adenylyl Cylase Activity01:09

GPCRs Regulate Adenylyl Cylase Activity

7.7K
Some GPCRs transmit signals through adenylyl cyclase (AC), a transmembrane enzyme. AC helps synthesize second messenger cyclic adenosine monophosphate (cAMP). AC catalyzes cyclization reaction and converts ATP to cAMP by releasing a pyrophosphate. The pyrophosphate is further hydrolyzed to phosphate by the enzyme pyrophosphatase, which drives cAMP synthesis to completion. However, cAMP is rapidly degraded to 5′ AMP by the enzymes phosphodiesterase (PDE), preventing overstimulation of...
7.7K

You might also read

Related Articles

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

Sort by
Same author

Systematic Review and Meta-analysis of Interactive Digital Self-management Interventions for Adults with Chronic Respiratory Disease in Randomized Controlled Trials.

Applied clinical informatics·2026
Same author

FeNO as a Treatable Trait in Chronic Cough: Insights from the PROCOUGH Study.

Lung·2026
Same author

Inter-rater agreement of the canine modified Ashworth scale for assessment of limb tone in dogs presenting with acute myelopathic signs.

The Veterinary record·2026
Same author

International consensus on airway clearance techniques for patients hospitalised with acute exacerbations of COPD: a European Delphi study.

ERJ open research·2026
Same author

The CoughRetrain Program: Restoring Control Through a Non-pharmacological Intervention.

Lung·2026
Same author

New high affinity AT2 receptor ligands comprising a 2-methyl substituted phenylthiophene scaffold.

Bioorganic & medicinal chemistry·2026

Related Experiment Video

Updated: Feb 17, 2026

Parallel Interrogation of β-Arrestin2 Recruitment for Ligand Screening on a GPCR-Wide Scale using PRESTO-Tango Assay
09:03

Parallel Interrogation of β-Arrestin2 Recruitment for Ligand Screening on a GPCR-Wide Scale using PRESTO-Tango Assay

Published on: March 10, 2020

13.9K

Characterization of Ligand Binding to GPCRs Through Computational Methods.

Silvana Vasile1, Mauricio Esguerra1, Willem Jespers1

  • 1Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Box 596, Uppsala, SE-751 24, Sweden.

Methods in Molecular Biology (Clifton, N.J.)
|December 1, 2017
PubMed
Summary

Computational methods enhance structure-based drug design for G protein-coupled receptors (GPCRs). These protocols elucidate ligand binding modes, conformational selection, and subtype selectivity for diverse GPCR families.

Keywords:
Free energy perturbationHomology modelingMolecular dynamicsStructure-based drug design

More Related Videos

Measuring G-protein-coupled Receptor Signaling via Radio-labeled GTP Binding
10:13

Measuring G-protein-coupled Receptor Signaling via Radio-labeled GTP Binding

Published on: June 9, 2017

17.3K
Stepwise Dosing Protocol for Increased Throughput in Label-Free Impedance-Based GPCR Assays
06:13

Stepwise Dosing Protocol for Increased Throughput in Label-Free Impedance-Based GPCR Assays

Published on: February 21, 2020

7.1K

Related Experiment Videos

Last Updated: Feb 17, 2026

Parallel Interrogation of β-Arrestin2 Recruitment for Ligand Screening on a GPCR-Wide Scale using PRESTO-Tango Assay
09:03

Parallel Interrogation of β-Arrestin2 Recruitment for Ligand Screening on a GPCR-Wide Scale using PRESTO-Tango Assay

Published on: March 10, 2020

13.9K
Measuring G-protein-coupled Receptor Signaling via Radio-labeled GTP Binding
10:13

Measuring G-protein-coupled Receptor Signaling via Radio-labeled GTP Binding

Published on: June 9, 2017

17.3K
Stepwise Dosing Protocol for Increased Throughput in Label-Free Impedance-Based GPCR Assays
06:13

Stepwise Dosing Protocol for Increased Throughput in Label-Free Impedance-Based GPCR Assays

Published on: February 21, 2020

7.1K

Area of Science:

  • Structural biology
  • Computational chemistry
  • Pharmacology

Background:

  • The growing number of G protein-coupled receptor (GPCR) structures is pivotal for structure-based ligand design.
  • Computational approaches, integrated with medicinal chemistry and pharmacology, offer powerful tools for understanding GPCR-ligand interactions.

Purpose of the Study:

  • To update and showcase structure-based computational protocols for analyzing GPCR-ligand binding.
  • To address key questions regarding ligand binding modes, conformational selection (agonists/antagonists), and subtype selectivity.

Main Methods:

  • Utilizing structure-based computational protocols.
  • Applying these methods to analyze ligand interactions with Class A GPCRs, including adenosine, neuropeptide-Y, and angiotensin II receptors.

Main Results:

  • Demonstrated ability to elucidate ligand binding modes across diverse GPCR families.
  • Successfully determined the molecular basis of conformational selection and subtype selectivity.
  • Validated the general applicability of the computational methodology.

Conclusions:

  • The presented computational protocols are broadly applicable for characterizing GPCR-ligand binding.
  • These methods significantly contribute to structure-based drug design and understanding receptor pharmacology.