ArticleProceedings of the National Academy of Sciences of the United States of America2000
Rational discovery of novel nuclear hormone receptor antagonists.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2000. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
27 citing papers in PubMed, 110 citations in OpenAlex.
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- In silico pharmacology for drug discovery: applications to targets and beyond.British journal of pharmacology · 2007Review
- Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs.Proceedings of the National Academy of Sciences of the United States of America · 2007Article
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- Design of ligand binding to an engineered protein cavity using virtual screening and thermal up-shift evaluation.Journal of computer-aided molecular design · 2005Article
- Utility of homology models in the drug discovery process.Drug discovery today · 2004Review
- Ligand-independent activation of estrogen receptor alpha by XBP-1.Nucleic acids research · 2003Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Nuclear hormone receptors (NRs) are potential targets for therapeutic approaches to many clinical conditions, including cancer, diabetes, and neurological diseases. The crystal structure of the ligand binding domain of agonist-bound NRs enables the design of compounds with agonist activity. However, with the exception of the human estrogen receptor-alpha, the lack of antagonist-bound "inactive" receptor structures hinders the rational design of receptor antagonists. In this study, we present a strategy for designing such antagonists. We constructed a model of the inactive conformation of human retinoic acid receptor-alpha by using information derived from antagonist-bound estrogen receptor-alpha and applied a computer-based virtual screening algorithm to identify retinoic acid receptor antagonists. Thus, the currently available crystal structures of NRs may be used for the rational design of antagonists, which could lead to the development of novel drugs for a variety of diseases.
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Registered trials
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.