ArticleBiophysical journal2000
Modeling and docking the endothelin G-protein-coupled receptor.
Article in Biophysical journal, 2000. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 51 citations in OpenAlex.
- Structural basis of peptide recognition and activation of endothelin receptors.Nature communications · 2023Article
- Investigating the specificity of endothelin-traps as a potential therapeutic tool for endothelin-1 related disorders.World journal of diabetes · 2022Article
- Determination of the endothelin-1 recognition sites of endothelin receptor type A by the directed-degeneration method.Scientific reports · 2017Article
- Endothelin.Pharmacological reviews · 2016Review
- Molecular characterization of two endothelin pathways in East African cichlid fishes.Journal of molecular evolution · 2011Article
- New perspectives on the endothelin axis in pain.Pharmacological research · 2011Review
- Homology modelling and spectroscopy, a never-ending love story.European biophysics journal : EBJ · 2010Review
- Single protein molecule mapping with magnetic atomic force microscopy.Biophysical journal · 2010Article
- Endothelin receptors and pain.The journal of pain · 2009Review
- Molecular mechanism of mast cell mediated innate defense against endothelin and snake venom sarafotoxin.The Journal of experimental medicine · 2007Article
- Dopamine D1 receptor agonist and D2 receptor antagonist effects of the natural product (-)-stepholidine: molecular modeling and dynamics simulations.Biophysical journal · 2007Article
- A method for the prediction of GPCRs coupling specificity to G-proteins using refined profile Hidden Markov Models.BMC bioinformatics · 2005Article
- Experimental and computational studies of the desensitization process in the bovine rhodopsin-arrestin complex.Biophysical journal · 2004Article
- Development of agonists of endothelin-1 exhibiting selectivity towards ETA receptors.British journal of pharmacology · 2003Article
- Modeling and docking of the three-dimensional structure of the human melanocortin 4 receptor.Journal of protein chemistry · 2003Article
- Molecular dynamics simulations on SDF-1alpha: binding with CXCR4 receptor.Biophysical journal · 2003Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A model of the endothelin G-protein-coupled receptor (ET(A)) has been constructed using a segmented approach. The model was produced using a bovine rhodopsin model as a template for the seven transmembrane alpha-helices. The three cytoplasmic loop regions and the C-terminal region were modeled on NMR structures of corresponding segments from bovine rhodopsin. The three extracellular loops were modeled on homologous loop regions in other proteins of known structure. The N-terminal region was modeled as a three-helix domain based on its homology with a hydrolase protein. To test the model, the FTDOCK algorithm was used to predict the ligand-binding site for the crystal structure of human endothelin. The site of docking is consistent with mutational and biochemical data. The principal sites of interaction in the endothelin ligand all lie on one face of a helix that has been implicated by structure-activity relationship studies as being essential for binding. As further support for the model, attempts to dock bigET, an inactive precursor to endothelin that does not bind to the receptor, found no sites for tight binding. The model of the receptor-ligand complex produced forms a basis for rational drug design of agonists and antagonists for this G-protein-coupled receptor.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.