Virtual and biomolecular screening converge on a selective agonist for GPR30
By C. Bologa, C. Revankar, Susan M. Young, B. Edwards, J. B. Arterburn, A. Kiselyov, M. Parker, S. Tkachenko, Nikolay P Savchuck, L. Sklar and 2 more. Nature Chemical Biology, 2006
832 citations recorded by the source corpus.
Subfields: Genetics, Molecular Biology
View Paper: https://www.semanticscholar.org/paper/132a756f9dacc2cc6d7b547c8f9e9264ae37e658
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In Genetics
In Molecular Biology
- Sandeepkumar Kothiwale
- Jens Meiler
- E. W. Lowe
- Chanjin Jung
- Jingyu Lee
- Bilal Shaker
- Dokyun Na
- Gregory Sliwoski
Citations in the corpus
- Estrogen Rapidly Enhances Incisional Pain of Ovariectomized Rats Primarily through the G Protein-Coupled Estrogen Receptor (2014, background): “The GPER-specific compound 1, G1, a substituted tetrahydro-3H-cyclopenta[c]-quinoline, does neither bind nor activate the classical nuclear receptors, but rather binds to GPER with high affinity and selectivity [28].”
- G protein-coupled receptors: novel targets for drug discovery in cancer (2010, background): “The GPER-activated signalling is clearly distinct from that of the classical nuclear ERs; however, the two transduction pathways might interact cooperatively to stimulate relevant biological responses in some case”
- In silico methods and tools for drug discovery (2021, positive): “Recently, many potent compounds have been identified using a similarity search approach [102]; for example, agonists for a G-protein-coupled receptor (GPR30) were developed with this method [103].”
- Computational Methods in Drug Discovery (2014, methodology): “The top 100 ranked hits were selected for biologic testing and a first-in-class selective agonist with a Ki of 11 nM for GPR30 was discovered (Bologa et al., 2006).”