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

G Protein-coupled Receptors01:15

G Protein-coupled Receptors

14.1K
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...
14.1K
Drug Discovery: Overview01:26

Drug Discovery: Overview

10.4K
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...
10.4K
GPCR Desensitization01:12

GPCR Desensitization

6.1K
G protein-coupled receptor (GPCR) signaling plays a crucial role in cell functioning. GPCR desensitization is an equally essential process. It allows cells to respond to changing environments and regain sensitivity to new stimuli while preventing unnecessary stimulation when no longer needed. Prolonged exposure to stimuli leads to GPCR desensitization. It involves blocking the receptors from binding and activating additional G proteins. This inhibits activation of downstream effectors, thereby...
6.1K

You might also read

Related Articles

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

Sort by
Same author

Design, synthesis, and biological evaluation of aryl urea derivatives as novel STING inhibitors based on SN-011.

Bioorganic & medicinal chemistry·2026
Same author

A‑type potassium channels mediate the inhibitory effect of β‑hydroxybutyrate on CA1 pyramidal neurons in an immature mouse model of kainic acid‑induced status epilepticus.

Epilepsy research·2026
Same author

Light quality-regulated anthocyanin biosynthesis in Lilium leichtlinii subsp. maximowiczii bulbs: A multi-omics perspective.

PloS one·2026
Same author

Regional homogeneity and interhemispheric connectivity alterations in major depressive disorder.

Asian journal of psychiatry·2026
Same author

The effects of rTMS over orbitofrontal cortex on cognitive functions in first-episode schizophrenia.

Psychological medicine·2026
Same author

DrugGPS: Attention-guided multimodal fusion for intelligent exploration of drug-target and drug-disease interactions.

British journal of pharmacology·2026

Related Experiment Video

Updated: May 5, 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

11.9K

An efficient multistep ligand-based virtual screening approach for GPR40 agonists.

Sihui Yao1, Tao Lu, Zifan Zhou

  • 1Laboratory of Molecular Design and Drug Discovery, School of Basic Science, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing, 210009, China.

Molecular Diversity
|December 6, 2013
PubMed
Summary

This study presents a multistep virtual screening approach to discover G protein-coupled receptor 40 (GPR40) agonists for type 2 diabetes. The enhanced protocol improves hit rates and identifies diverse active compounds without a crystal structure.

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

2.0K
Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
06:26

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

Published on: May 16, 2021

6.4K

Related Experiment Videos

Last Updated: May 5, 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

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

2.0K
Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
06:26

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

Published on: May 16, 2021

6.4K

Area of Science:

  • Pharmacology
  • Computational Chemistry
  • Drug Discovery

Background:

  • G protein-coupled receptor 40 (GPR40), also known as free fatty acid receptor 1 (FFAR1), is a key target for type 2 diabetes treatment.
  • GPR40 agonists show therapeutic potential, but the lack of a crystal structure hinders traditional drug discovery methods.
  • Ligand-based virtual screening is a viable strategy for identifying GPR40 agonists, though individual methods have limitations.

Purpose of the Study:

  • To develop and evaluate an efficient multistep ligand-based virtual screening protocol for identifying novel GPR40 agonists.
  • To overcome the limitations of individual ligand-based screening methods by integrating multiple approaches.
  • To provide a robust virtual screening tool for targets lacking experimental structural data.

Main Methods:

  • A multistep virtual screening workflow was designed, incorporating pharmacophore-based screening, physicochemical property filtering, protein-ligand interaction fingerprint similarity analysis, and 2D-fingerprint structural similarity search.
  • A focused decoy library was generated to rigorously assess the efficiency and performance of the proposed protocol.
  • The protocol was evaluated by comparing its hit rate and the diversity of identified compounds against individual ligand-based methods.

Main Results:

  • The multistep virtual screening protocol significantly improved the hit rate compared to each individual ligand-based method used in isolation.
  • The workflow successfully identified a diverse set of known active compounds from the decoy library, demonstrating its effectiveness.
  • The integrated approach proved more efficient in discovering potential GPR40 agonists.

Conclusions:

  • The developed multistep ligand-based virtual screening protocol is an efficient tool for discovering novel active compounds, particularly for targets without available crystal structures.
  • This integrated approach enhances the hit rate and compound diversity, offering a valuable strategy in drug discovery for GPR40 and similar targets.
  • The protocol provides a practical solution for identifying therapeutic agents for type 2 diabetes by targeting GPR40.