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

15.9K
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...
15.9K
Ligand Binding Sites02:40

Ligand Binding Sites

9.2K
9.2K
G Protein-coupled Receptors01:15

G Protein-coupled Receptors

20.2K
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...
20.2K
Transducer Mechanism: G Protein–Coupled Receptors01:30

Transducer Mechanism: G Protein–Coupled Receptors

9.0K
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,...
9.0K
GPCRs Regulate Adenylyl Cylase Activity01:09

GPCRs Regulate Adenylyl Cylase Activity

8.4K
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...
8.4K
G-protein Coupled Receptors01:21

G-protein Coupled Receptors

134.8K
G-protein coupled receptors are ligand binding receptors that indirectly affect changes in the cell. The actual receptor is a single polypeptide that transverses the cell membrane seven times creating intracellular and extracellular loops. The extracellular loops create a ligand specific pocket which binds to neurotransmitters or hormones. The intracellular loops holds onto the G-protein.
134.8K

You might also read

Related Articles

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

Sort by
Same author

Interaction between Paracetamol Glucuronide and a Glucose-Sensitive Insulin Molecule (NNC2215): Increased Risk of Hypoglycemia.

ACS pharmacology & translational science·2026
Same author

Discovery of bridged melanostatin derivatives as potent allosteric modulators of the dopamine D<sub>2</sub> receptors with improved permeability.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie·2026
Same author

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

Bioorganic & medicinal chemistry·2026
Same author

Outcomes of Triple-Tapered Collared Cementless versus Cemented Stems in Total Hip Arthroplasty for Femoral Neck Fracture: A Propensity Score Overlap-Weighted Cohort Study.

The Journal of arthroplasty·2026
Same author

Host Genus and Habitat Use Shape the Distribution of <i>Batrachochytrium dendrobatidis</i> Lineages in a Hyper-Diverse Tropical Amphibian Community.

Ecology and evolution·2026
Same author

Evaluation of the Biological Standardization of Native Der p 1, Der p 2 and Der p 23 Proteins Isolated from Natural Allergen Source.

International journal of molecular sciences·2026

Related Experiment Video

Updated: Apr 18, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

11.9K

Computer-aided design of GPCR ligands.

Hugo Gutiérrez-de-Terán1, Henrik Keränen, Jhonny Azuaje

  • 1Department of Cell and Molecular Biology, Biomedical Center, Uppsala University, Box 596, SE-751 24, Uppsala, Sweden, hugo.gutierrez@icm.uu.se.

Methods in Molecular Biology (Clifton, N.J.)
|January 8, 2015
PubMed
Summary

Structure-based drug design using computational methods aids in developing new antagonists for adenosine receptors. This approach integrates computational and medicinal chemistry to guide the synthesis of novel, potent, and selective chemical entities.

More Related Videos

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

2.7K
Optimizing the Genetic Incorporation of Chemical Probes into GPCRs for Photo-crosslinking Mapping and Bioorthogonal Chemistry in Live Mammalian Cells
14:02

Optimizing the Genetic Incorporation of Chemical Probes into GPCRs for Photo-crosslinking Mapping and Bioorthogonal Chemistry in Live Mammalian Cells

Published on: April 9, 2018

9.2K

Related Experiment Videos

Last Updated: Apr 18, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

11.9K
Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

2.7K
Optimizing the Genetic Incorporation of Chemical Probes into GPCRs for Photo-crosslinking Mapping and Bioorthogonal Chemistry in Live Mammalian Cells
14:02

Optimizing the Genetic Incorporation of Chemical Probes into GPCRs for Photo-crosslinking Mapping and Bioorthogonal Chemistry in Live Mammalian Cells

Published on: April 9, 2018

9.2K

Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Pharmacology

Background:

  • The advent of G protein-coupled receptor (GPCR) crystal structures enhances structure-based ligand design.
  • Computational approaches are vital tools in modern drug discovery projects.
  • Effective drug design necessitates collaboration between computational and medicinal chemistry disciplines.

Purpose of the Study:

  • To present computational pipelines for designing novel antagonists targeting adenosine receptors.
  • To illustrate the integration of computational strategies within a drug design project.
  • To demonstrate how computational methods can guide the synthesis of new chemical entities.

Main Methods:

  • Utilized GPCR crystal structures for structure-based ligand design.
  • Employed computational approaches integrated with medicinal chemistry efforts.
  • Developed specific pipelines for designing adenosine receptor antagonists.

Main Results:

  • Successfully designed novel potent and selective antagonists for adenosine receptors.
  • Demonstrated the effectiveness of computational strategies in guiding chemical synthesis.
  • Provided detailed descriptions of the computational pipelines used.

Conclusions:

  • Computational approaches, when integrated with medicinal chemistry, are powerful for structure-based ligand design.
  • The presented strategies effectively guide the synthesis of novel chemical entities targeting adenosine receptors.
  • This work highlights the synergy between computational and experimental teams in drug discovery.