Matches in SemOpenAlex for { <https://semopenalex.org/work/W2988354549> ?p ?o ?g. }
Showing items 1 to 78 of
78
with 100 items per page.
- W2988354549 abstract "Significant efforts are currently being made to move toxicity testing from animal experimentation to human relevant, mechanism-based approaches. In this context, the identification of molecular target(s) responsible for mechanisms of action is an essential step. Inspired by the recent concept of polypharmacology (the ability of drugs to interact with multiple targets) we argue that whole proteome virtual screening might become a breakthrough tool in toxicology reflecting the real complexity of chemical-biological interactions. Therefore, we investigated the value of performing ligand-protein binding prediction screening across the full proteome to identify new mechanisms of action for food chemicals. We applied the new approach to make a broader comparison between bisphenol A (BPA) (food-packaging chemical) and the endogenous estrogen, 17β-estradiol (EST). Applying a novel high-throughput ligand-protein binding prediction tool (BioGPS) by the Amazon Web Services (AWS) cloud (to speed-up the calculation), we investigated the value of performing in silico screening across the full proteome (all human and rodent x-ray protein structures available in the Protein Data Bank). The strong correlation between in silico predictions and available in vitro data demonstrates the high predictive power of the method used. The most striking results obtained was that BPA was predicted to bind to many more proteins than the ones already known, most of which were common to EST. Our findings provide a new and unprecedented insight on the complexity of chemical-protein interactions, highlighting the binding promiscuity of BPA and its broader similarity compared to the female sex hormone, EST." @default.
- W2988354549 created "2019-11-22" @default.
- W2988354549 creator A5070962013 @default.
- W2988354549 date "2019-01-01" @default.
- W2988354549 modified "2023-10-05" @default.
- W2988354549 title "Bisphenol A binding promiscuity: A virtual journey through the universe of proteins" @default.
- W2988354549 doi "https://doi.org/10.14573/altex.1906141" @default.
- W2988354549 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31707420" @default.
- W2988354549 hasPublicationYear "2019" @default.
- W2988354549 type Work @default.
- W2988354549 sameAs 2988354549 @default.
- W2988354549 citedByCount "1" @default.
- W2988354549 countsByYear W29883545492022 @default.
- W2988354549 crossrefType "journal-article" @default.
- W2988354549 hasAuthorship W2988354549A5070962013 @default.
- W2988354549 hasBestOaLocation W29883545491 @default.
- W2988354549 hasConcept C103697762 @default.
- W2988354549 hasConcept C104317684 @default.
- W2988354549 hasConcept C104397665 @default.
- W2988354549 hasConcept C116834253 @default.
- W2988354549 hasConcept C139489369 @default.
- W2988354549 hasConcept C151730666 @default.
- W2988354549 hasConcept C18903297 @default.
- W2988354549 hasConcept C24259465 @default.
- W2988354549 hasConcept C2775905019 @default.
- W2988354549 hasConcept C2779343474 @default.
- W2988354549 hasConcept C41008148 @default.
- W2988354549 hasConcept C54355233 @default.
- W2988354549 hasConcept C55493867 @default.
- W2988354549 hasConcept C60644358 @default.
- W2988354549 hasConcept C70721500 @default.
- W2988354549 hasConcept C74187038 @default.
- W2988354549 hasConcept C86803240 @default.
- W2988354549 hasConceptScore W2988354549C103697762 @default.
- W2988354549 hasConceptScore W2988354549C104317684 @default.
- W2988354549 hasConceptScore W2988354549C104397665 @default.
- W2988354549 hasConceptScore W2988354549C116834253 @default.
- W2988354549 hasConceptScore W2988354549C139489369 @default.
- W2988354549 hasConceptScore W2988354549C151730666 @default.
- W2988354549 hasConceptScore W2988354549C18903297 @default.
- W2988354549 hasConceptScore W2988354549C24259465 @default.
- W2988354549 hasConceptScore W2988354549C2775905019 @default.
- W2988354549 hasConceptScore W2988354549C2779343474 @default.
- W2988354549 hasConceptScore W2988354549C41008148 @default.
- W2988354549 hasConceptScore W2988354549C54355233 @default.
- W2988354549 hasConceptScore W2988354549C55493867 @default.
- W2988354549 hasConceptScore W2988354549C60644358 @default.
- W2988354549 hasConceptScore W2988354549C70721500 @default.
- W2988354549 hasConceptScore W2988354549C74187038 @default.
- W2988354549 hasConceptScore W2988354549C86803240 @default.
- W2988354549 hasLocation W29883545491 @default.
- W2988354549 hasLocation W29883545492 @default.
- W2988354549 hasOpenAccess W2988354549 @default.
- W2988354549 hasPrimaryLocation W29883545491 @default.
- W2988354549 hasRelatedWork W1550214637 @default.
- W2988354549 hasRelatedWork W1836020862 @default.
- W2988354549 hasRelatedWork W2014463571 @default.
- W2988354549 hasRelatedWork W2023145235 @default.
- W2988354549 hasRelatedWork W2067049903 @default.
- W2988354549 hasRelatedWork W2121277457 @default.
- W2988354549 hasRelatedWork W2164259382 @default.
- W2988354549 hasRelatedWork W2167914528 @default.
- W2988354549 hasRelatedWork W2396112202 @default.
- W2988354549 hasRelatedWork W2516656902 @default.
- W2988354549 hasRelatedWork W2778520227 @default.
- W2988354549 hasRelatedWork W2804028676 @default.
- W2988354549 hasRelatedWork W2888039195 @default.
- W2988354549 hasRelatedWork W2888338680 @default.
- W2988354549 hasRelatedWork W2890717756 @default.
- W2988354549 hasRelatedWork W3119506213 @default.
- W2988354549 hasRelatedWork W3199493447 @default.
- W2988354549 hasRelatedWork W3208548154 @default.
- W2988354549 hasRelatedWork W4210608471 @default.
- W2988354549 hasRelatedWork W45078079 @default.
- W2988354549 isParatext "false" @default.
- W2988354549 isRetracted "false" @default.
- W2988354549 magId "2988354549" @default.
- W2988354549 workType "article" @default.