Review ArticleReview Article
Open Access
Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?
Flavio Ballante, Albert J Kooistra, Stefanie Kampen, Chris de Graaf and Jens Carlsson
Gunnar Schulte, ASSOCIATE EDITOR
Pharmacological Reviews October 2021, 73 (4) 1698-1736; DOI: https://doi.org/10.1124/pharmrev.120.000246
Flavio Ballante
Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden (F.B., S.K., J.C.); Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark (A.J.K.); and Sosei Heptares, Steinmetz Building, Granta Park, Great Abington, Cambridge, United Kingdom (C.d.G.)
Albert J Kooistra
Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden (F.B., S.K., J.C.); Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark (A.J.K.); and Sosei Heptares, Steinmetz Building, Granta Park, Great Abington, Cambridge, United Kingdom (C.d.G.)
Stefanie Kampen
Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden (F.B., S.K., J.C.); Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark (A.J.K.); and Sosei Heptares, Steinmetz Building, Granta Park, Great Abington, Cambridge, United Kingdom (C.d.G.)
Chris de Graaf
Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden (F.B., S.K., J.C.); Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark (A.J.K.); and Sosei Heptares, Steinmetz Building, Granta Park, Great Abington, Cambridge, United Kingdom (C.d.G.)
Jens Carlsson
Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden (F.B., S.K., J.C.); Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark (A.J.K.); and Sosei Heptares, Steinmetz Building, Granta Park, Great Abington, Cambridge, United Kingdom (C.d.G.)
Gunnar Schulte
Roles: ASSOCIATE EDITOR
Submit a Response to This Article
Jump to comment:
No eLetters have been published for this article.
In this issue
Review ArticleReview Article
Structure-Based Virtual Screening for GPCR Ligands
Flavio Ballante, Albert J Kooistra, Stefanie Kampen, Chris de Graaf and Jens Carlsson
Pharmacological Reviews October 1, 2021, 73 (4) 1698-1736; DOI: https://doi.org/10.1124/pharmrev.120.000246
Jump to section
- Article
- Abstract
- I. Introduction to G Protein–Coupled Receptors: Pharmacology and Structural Biology
- II. Molecular Docking: Methodology and Virtual Screening Workflow
- III. Success Stories: Discovery of G Protein–Coupled Receptor Ligands by Molecular Docking Screening
- IV. Opportunities and Limitations: What Can Molecular Docking Do for You?
- V. Conclusions
- Acknowledgments
- Authorship Contributions
- Footnotes
- Abbreviations
- References
- Figures & Data
- Info & Metrics
- eLetters
- PDF + SI
Related Articles
Cited By...
More in this TOC Section
Similar Articles
Advertisement