The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Structure-based drug screening for G-protein-coupled receptors
Open accessAbstract
G protein-coupled receptors (GPCRs) represent a large family of signaling proteins that includes many therapeutic targets; however, progress in identifying new small molecule drugs has been disappointing. The past four years have seen remarkable progress in the structural biology of GPCRs, raising the possibility of applying structure-based approaches to GPCR drug discovery efforts. Of the various structure-based approaches that have been applied to soluble protein targets, such as proteases and kinases, in silico docking is among the most ready applicable to GPCRs. Early studies suggest that GPCR binding pockets are well suited to docking, and docking screens have identified potent and novel compounds for these targets. This review will focus on the current state of in silico docking for GPCRs.
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Cites
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
Irwin, J. J., & Shoichet, B. K. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci049714+ · Cited by 4,058
Self-citationHow to improve R&D productivity: the pharmaceutical industry's grand challenge
Paul, S. M., Mytelka, D. S., Dunwiddie, C. T., Persinger, C. C., Munos, B. H., Lindborg, S. R., & Schacht, A. L. (2010) · Nature Reviews Drug Discovery · doi:10.1038/nrd3078 · Cited by 3,566
Crystal structure of the β2 adrenergic receptor–Gs protein complex
Rasmussen, S. G. F., DeVree, B. T., Zou, Y., Kruse, A. C., Chung, K. Y., Kobilka, T. S., Thian, F. S., Chae, P. S., Pardon, E., Calinski, D., et al. (2011) · Nature · doi:10.1038/nature10361 · Cited by 3,009
Self-citationFredriksson, R., Lagerström, M. C., Lundin, L.-G., & Schiöth, H. B. (2003) · Molecular Pharmacology · doi:10.1124/mol.63.6.1256 · Cited by 2,941
Impact of high-throughput screening in biomedical research
Macarron, R., Banks, M. N., Bojanic, D., Burns, D. J., Cirovic, D. A., Garyantes, T., Green, D. V. S., Hertzberg, R. P., Janzen, W. P., Paslay, J. W., et al. (2011) · Nature Reviews Drug Discovery · doi:10.1038/nrd3368 · Cited by 1,364
Benchmarking sets for molecular docking.
Huang, N., Shoichet, B. K., & Irwin, J. J. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm0608356 · Cited by 1,318
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Cited by
Roth, B. L. (2016) · Neuron · doi:10.1016/j.neuron.2016.01.040 · Cited by 1,742
Polypharmacology: Challenges and Opportunities in Drug Discovery: Miniperspective
Anighoro, A., Bajorath, J., & Rastelli, G. (2014) · Journal of Medicinal Chemistry · doi:10.1021/jm5006463 · Cited by 1,131
Synthon-based ligand discovery in virtual libraries of over 11 billion compounds
Sadybekov, A. A., Sadybekov, A. V., Liu, Y., Iliopoulos-Tsoutsouvas, C., Huang, X.-P., Pickett, J., Houser, B., Patel, N., Tran, N. K., Tong, F., et al. (2022) · Nature · doi:10.1038/s41586-021-04220-9 · Cited by 417
Applying Structure-Based Drug Design Approaches to Allosteric Modulators of GPCRs
Congreve, M., Oswald, C., & Marshall, F. H. (2017) · Trends in Pharmacological Sciences · doi:10.1016/j.tips.2017.05.010 · Cited by 123
Dong, C., Zheng, Y., Long-Iyer, K., Wright, E. C., Li, Y., & Tian, L. (2022) · Annual Review of Neuroscience · doi:10.1146/annurev-neuro-110520-031137 · Cited by 99
Metadata
- Authors
- Shoichet, B. K., & Kobilka, B. K.
- Venue
- Trends in Pharmacological Sciences
- Publisher
- Elsevier BV
- Published
- 2012-05
- Volume
- 33
- Issue
- 5
- Pages
- 268-272
- ISSN
- 0165-6147 (ISSN-L)
- OpenAlex
- W2123563726
- Cited by
- 294
- References
- 6
- FWCI
- 4.14
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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