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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
Structure-based drug screening for G-protein-coupled receptors
Brian K Shoichet1, Brian K Kobilka
1Department of Pharmaceutical Chemistry, University of California, San Francisco, CA, USA.
Trends in Pharmacological Sciences
|April 17, 2012
Summary
Structure-based drug discovery using in silico docking shows promise for G-protein-coupled receptors (GPCRs). Recent advances in GPCR structural biology enable new approaches for identifying potent small molecule drugs.
Area of Science:
- Biochemistry
- Pharmacology
- Structural Biology
Background:
- G-protein-coupled receptors (GPCRs) are crucial signaling proteins with many therapeutic applications.
- Despite their importance, identifying novel small molecule drugs for GPCRs has been challenging.
Purpose of the Study:
- To review the current applications of in silico docking for G-protein-coupled receptors.
- To highlight the potential of structure-based approaches in GPCR drug discovery.
Main Methods:
- In silico docking screens applied to GPCR targets.
- Analysis of recent progress in GPCR structural biology.
Main Results:
- GPCR binding pockets are amenable to in silico docking.
- Docking screens have successfully identified potent and novel compounds for GPCRs.
Conclusions:
- In silico docking is a viable structure-based approach for GPCR drug discovery.
- Advances in GPCR structural biology enhance the utility of computational methods.
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