FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387029604> ?p ?o ?g. }

• W4387029604 endingPage "115495" @default.
• W4387029604 startingPage "115495" @default.
• W4387029604 abstract "Baikal seals (Pusa sibirica) are vulnerable to high levels of organic pollutants. Here, we evaluated the transactivation potencies of bisphenols (BPs) and hydroxylated polychlorinated biphenyls (OH-PCBs) via the Baikal seal estrogen receptor α and β (bsERα and bsERβ) using in vitro and in silico approaches. In vitro reporter gene assays showed that most BPs and OH-PCBs exhibited estrogenic activity with bsER sub-type-specific potency. Among the BPs tested, bisphenol AF showed the lowest EC50 for both bsERs. 4′-OH-CB50 and 4′-OH-CB30 showed the lowest EC50 among OH-PCBs tested for bsERα and bsERβ, respectively. 4-((4-Isopropoxyphenyl)-sulfonyl)phenol, 4′-OH-CB72, and 4′-OH-CB121 showed weak bsERα-specific transactivation. Only 4-OH-CB107 did not affect both bsERs. In silico docking simulations revealed the binding affinities of these chemicals to bsERs and partially explained the in vitro results. Using the in silico simulations and molecular descriptors as explanatory variables and the in vitro results as objective variables, the quantitative structure-activity relationship (QSAR) models constructed for classification and regression accurately separated bsER-active compounds from non-active compounds and predicted the in vitro bsERα- and bsERβ-transactivation potencies, respectively. The QSAR models also suggested that chemical polarity, van der Waals surface area, bridging atom structure, position of the phenolic-OH group, and ligand interactions with key residues of the ligand binding pocket are critical variables to account for the bsER transactivation potency of the test compounds. We also succeeded in constructing computational models for predicting in vitro transactivation potencies of mouse ERs in the same manner, demonstrating the applicability of our approach independent of species-specific responses." @default.
• W4387029604 created "2023-09-26" @default.
• W4387029604 creator A5008882046 @default.
• W4387029604 creator A5014265640 @default.
• W4387029604 creator A5032711040 @default.
• W4387029604 creator A5043330389 @default.
• W4387029604 creator A5053478963 @default.
• W4387029604 creator A5055480175 @default.
• W4387029604 creator A5057737705 @default.
• W4387029604 date "2023-10-01" @default.
• W4387029604 modified "2023-10-14" @default.
• W4387029604 title "In silico simulations and molecular descriptors to predict in vitro transactivation potencies of Baikal seal estrogen receptors by environmental contaminants" @default.
• W4387029604 cites W1968817908 @default.
• W4387029604 cites W1971971716 @default.
• W4387029604 cites W1989954597 @default.
• W4387029604 cites W1990053219 @default.
• W4387029604 cites W1992261812 @default.
• W4387029604 cites W1995147679 @default.
• W4387029604 cites W1996289309 @default.
• W4387029604 cites W2000536375 @default.
• W4387029604 cites W2007302339 @default.
• W4387029604 cites W2007698848 @default.
• W4387029604 cites W2014179070 @default.
• W4387029604 cites W2017490572 @default.
• W4387029604 cites W2017805288 @default.
• W4387029604 cites W2019957939 @default.
• W4387029604 cites W2036633787 @default.
• W4387029604 cites W2041609470 @default.
• W4387029604 cites W2042695020 @default.
• W4387029604 cites W2049229941 @default.
• W4387029604 cites W2050220237 @default.
• W4387029604 cites W2052459433 @default.
• W4387029604 cites W2054262928 @default.
• W4387029604 cites W2055287694 @default.
• W4387029604 cites W2056730083 @default.
• W4387029604 cites W2067643341 @default.
• W4387029604 cites W2073503722 @default.
• W4387029604 cites W2076519840 @default.
• W4387029604 cites W2076588421 @default.
• W4387029604 cites W2077201851 @default.
• W4387029604 cites W2082137964 @default.
• W4387029604 cites W2085987340 @default.
• W4387029604 cites W2087661061 @default.
• W4387029604 cites W2087919607 @default.
• W4387029604 cites W2090467197 @default.
• W4387029604 cites W2091599654 @default.
• W4387029604 cites W2092941661 @default.
• W4387029604 cites W2095879551 @default.
• W4387029604 cites W2101738855 @default.
• W4387029604 cites W2117094199 @default.
• W4387029604 cites W2125624687 @default.
• W4387029604 cites W2140633565 @default.
• W4387029604 cites W2158567075 @default.
• W4387029604 cites W2164133605 @default.
• W4387029604 cites W2166446427 @default.
• W4387029604 cites W2200017991 @default.
• W4387029604 cites W2225235469 @default.
• W4387029604 cites W2320481820 @default.
• W4387029604 cites W2322178865 @default.
• W4387029604 cites W2332331506 @default.
• W4387029604 cites W2346751919 @default.
• W4387029604 cites W2621589167 @default.
• W4387029604 cites W2795250206 @default.
• W4387029604 cites W2800948158 @default.
• W4387029604 cites W2804465883 @default.
• W4387029604 cites W2903889880 @default.
• W4387029604 cites W2918604466 @default.
• W4387029604 cites W2932553152 @default.
• W4387029604 cites W2952306196 @default.
• W4387029604 cites W2968421475 @default.
• W4387029604 cites W2995048598 @default.
• W4387029604 cites W3023262441 @default.
• W4387029604 cites W3094074989 @default.
• W4387029604 cites W3113291402 @default.
• W4387029604 cites W3144631796 @default.
• W4387029604 cites W3156196613 @default.
• W4387029604 cites W3203571441 @default.
• W4387029604 cites W4248107770 @default.
• W4387029604 doi "https://doi.org/10.1016/j.ecoenv.2023.115495" @default.
• W4387029604 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37748367" @default.
• W4387029604 hasPublicationYear "2023" @default.
• W4387029604 type Work @default.
• W4387029604 citedByCount "0" @default.
• W4387029604 crossrefType "journal-article" @default.
• W4387029604 hasAuthorship W4387029604A5008882046 @default.
• W4387029604 hasAuthorship W4387029604A5014265640 @default.
• W4387029604 hasAuthorship W4387029604A5032711040 @default.
• W4387029604 hasAuthorship W4387029604A5043330389 @default.
• W4387029604 hasAuthorship W4387029604A5053478963 @default.
• W4387029604 hasAuthorship W4387029604A5055480175 @default.
• W4387029604 hasAuthorship W4387029604A5057737705 @default.
• W4387029604 hasBestOaLocation W43870296041 @default.
• W4387029604 hasConcept C104317684 @default.
• W4387029604 hasConcept C1292079 @default.
• W4387029604 hasConcept C159110408 @default.
• W4387029604 hasConcept C164126121 @default.
• W4387029604 hasConcept C185592680 @default.
• W4387029604 hasConcept C202751555 @default.

• next