ArticlePLoS computational biology2007
In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators.
Article in PLoS computational biology, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 42 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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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
42 citing papers in PubMed.
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- The Small Molecule Antagonist KCI807 Disrupts Association of the Amino-Terminal Domain of the Androgen Receptor with ELK1 by Modulating the Adjacent DNA Binding Domain.Molecular pharmacology · 2023Article
- Estimating the Similarity between Protein Pockets.International journal of molecular sciences · 2022Review
- Rational discovery of dual-indication multi-target PDE/Kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology.PLoS computational biology · 2019Article
- Large-scale detection of drug off-targets: hypotheses for drug repurposing and understanding side-effects.BMC pharmacology & toxicology · 2017Article
- Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem.Scientific reports · 2016Article
- Large-Scale Off-Target Identification Using Fast and Accurate Dual Regularized One-Class Collaborative Filtering and Its Application to Drug Repurposing.PLoS computational biology · 2016Article
- Microfluidic-Based Multi-Organ Platforms for Drug Discovery.Micromachines · 2016Review
- PDID: database of molecular-level putative protein-drug interactions in the structural human proteome.Bioinformatics (Oxford, England) · 2016Article
- Molecular mechanisms involved in the side effects of fatty acid amide hydrolase inhibitors: a structural phenomics approach to proteome-wide cellular off-target deconvolution and disease association.NPJ systems biology and applications · 2016Article
- Providing data science support for systems pharmacology and its implications to drug discovery.Expert opinion on drug discovery · 2016Review
- Systems biology approaches for studying the pathogenesis of non-alcoholic fatty liver disease.World journal of gastroenterology · 2014Review
- DDI-CPI, a server that predicts drug-drug interactions through implementing the chemical-protein interactome.Nucleic acids research · 2014Article
- Toward a "structural BLAST": using structural relationships to infer function.Protein science : a publication of the Protein Society · 2013Review
- Direct, differential effects of tamoxifen, 4-hydroxytamoxifen, and raloxifene on cardiac myocyte contractility and calcium handling.PloS one · 2013Article
- Article
- Cloud computing for protein-ligand binding site comparison.BioMed research international · 2013Article
- Systematic identification of proteins that elicit drug side effects.Molecular systems biology · 2013Article
- Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.Journal of medicinal chemistry · 2012Article
- Assessing drug target association using semantic linked data.PLoS computational biology · 2012Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
Early identification of adverse effect of preclinical and commercial drugs is crucial in developing highly efficient therapeutics, since unexpected adverse drug effects account for one-third of all drug failures in drug development. To correlate protein-drug interactions at the molecule level with their clinical outcomes at the organism level, we have developed an integrated approach to studying protein-ligand interactions on a structural proteome-wide scale by combining protein functional site similarity search, small molecule screening, and protein-ligand binding affinity profile analysis. By applying this methodology, we have elucidated a possible molecular mechanism for the previously observed, but molecularly uncharacterized, side effect of selective estrogen receptor modulators (SERMs). The side effect involves the inhibition of the Sacroplasmic Reticulum Ca2+ ion channel ATPase protein (SERCA) transmembrane domain. The prediction provides molecular insight into reducing the adverse effect of SERMs and is supported by clinical and in vitro observations. The strategy used in this case study is being applied to discover off-targets for other commercially available pharmaceuticals. The process can be included in a drug discovery pipeline in an effort to optimize drug leads and reduce unwanted side effects.
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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.