Matches in SemOpenAlex for { <https://semopenalex.org/work/W874208072> ?p ?o ?g. }
- W874208072 endingPage "2127" @default.
- W874208072 startingPage "2119" @default.
- W874208072 abstract "Determining the relationships between the structures of substrates and inhibitors and their interactions with drug-metabolizing enzymes is of prime importance in predicting the toxic potential of new and legacy xenobiotics. Traditionally, quantitative structure activity relationship (QSAR) studies are performed with many distinct compounds. Based on the chemical properties of the tested compounds, complex relationships can be established so that models can be developed to predict toxicity of novel compounds. In this study, the use of fluorinated analogues as supplemental QSAR compounds was investigated. Substituting fluorine induces changes in electronic and steric properties of the substrate without substantially changing the chemical backbone of the substrate. In vitro assays were performed using purified human cytosolic sulfotransferase hSULT2A1 as a model enzyme. A mono-hydroxylated polychlorinated biphenyl (4-OH PCB 14) and its four possible mono-fluoro analogues were used as test compounds. Remarkable similarities were found between this approach and previously published QSAR studies for hSULT2A1. Both studies implicate the importance of dipole moment and dihedral angle as being important to PCB structure in respect to being substrates for hSULT2A1. We conclude that mono-fluorinated analogues of a target substrate can be a useful tool to study the structure activity relationships for enzyme specificity." @default.
- W874208072 created "2016-06-24" @default.
- W874208072 creator A5023101089 @default.
- W874208072 creator A5033894814 @default.
- W874208072 creator A5049983483 @default.
- W874208072 creator A5065258484 @default.
- W874208072 creator A5082768962 @default.
- W874208072 creator A5087729828 @default.
- W874208072 date "2015-07-14" @default.
- W874208072 modified "2023-10-16" @default.
- W874208072 title "Mechanistic insights into the specificity of human cytosolic sulfotransferase 2A1 (hSULT2A1) for hydroxylated polychlorinated biphenyls through the use of fluoro-tagged probes" @default.
- W874208072 cites W1913353968 @default.
- W874208072 cites W1968957999 @default.
- W874208072 cites W1972586622 @default.
- W874208072 cites W1975003944 @default.
- W874208072 cites W1975036542 @default.
- W874208072 cites W1975069765 @default.
- W874208072 cites W1982788748 @default.
- W874208072 cites W1986543266 @default.
- W874208072 cites W1990531346 @default.
- W874208072 cites W1991331363 @default.
- W874208072 cites W1993897769 @default.
- W874208072 cites W1994553540 @default.
- W874208072 cites W1996009175 @default.
- W874208072 cites W2000925026 @default.
- W874208072 cites W2002799332 @default.
- W874208072 cites W2006183226 @default.
- W874208072 cites W2013065759 @default.
- W874208072 cites W2014056881 @default.
- W874208072 cites W2016448218 @default.
- W874208072 cites W2017827403 @default.
- W874208072 cites W2028203614 @default.
- W874208072 cites W2029867653 @default.
- W874208072 cites W2032635061 @default.
- W874208072 cites W2038083805 @default.
- W874208072 cites W2042166270 @default.
- W874208072 cites W2044721541 @default.
- W874208072 cites W2047487564 @default.
- W874208072 cites W2047822166 @default.
- W874208072 cites W2048685873 @default.
- W874208072 cites W2050501255 @default.
- W874208072 cites W2061616507 @default.
- W874208072 cites W2073813648 @default.
- W874208072 cites W2077973224 @default.
- W874208072 cites W2079241797 @default.
- W874208072 cites W2090784961 @default.
- W874208072 cites W2092716702 @default.
- W874208072 cites W2099532844 @default.
- W874208072 cites W2104280215 @default.
- W874208072 cites W2115078273 @default.
- W874208072 cites W2119250245 @default.
- W874208072 cites W2120901082 @default.
- W874208072 cites W2133955238 @default.
- W874208072 cites W2147618435 @default.
- W874208072 cites W2152112982 @default.
- W874208072 cites W2154630871 @default.
- W874208072 cites W2158567075 @default.
- W874208072 cites W2163940766 @default.
- W874208072 cites W2167832449 @default.
- W874208072 cites W2167952887 @default.
- W874208072 cites W2204707161 @default.
- W874208072 cites W2313909038 @default.
- W874208072 cites W2330161472 @default.
- W874208072 doi "https://doi.org/10.1007/s11356-015-4886-8" @default.
- W874208072 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4713379" @default.
- W874208072 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26165989" @default.
- W874208072 hasPublicationYear "2015" @default.
- W874208072 type Work @default.
- W874208072 sameAs 874208072 @default.
- W874208072 citedByCount "1" @default.
- W874208072 countsByYear W8742080722019 @default.
- W874208072 crossrefType "journal-article" @default.
- W874208072 hasAuthorship W874208072A5023101089 @default.
- W874208072 hasAuthorship W874208072A5033894814 @default.
- W874208072 hasAuthorship W874208072A5049983483 @default.
- W874208072 hasAuthorship W874208072A5065258484 @default.
- W874208072 hasAuthorship W874208072A5082768962 @default.
- W874208072 hasAuthorship W874208072A5087729828 @default.
- W874208072 hasBestOaLocation W8742080722 @default.
- W874208072 hasConcept C115448650 @default.
- W874208072 hasConcept C164126121 @default.
- W874208072 hasConcept C178790620 @default.
- W874208072 hasConcept C181199279 @default.
- W874208072 hasConcept C185592680 @default.
- W874208072 hasConcept C18903297 @default.
- W874208072 hasConcept C201194858 @default.
- W874208072 hasConcept C2775904581 @default.
- W874208072 hasConcept C2777289219 @default.
- W874208072 hasConcept C2780591471 @default.
- W874208072 hasConcept C2994592520 @default.
- W874208072 hasConcept C55493867 @default.
- W874208072 hasConcept C71240020 @default.
- W874208072 hasConcept C86803240 @default.
- W874208072 hasConcept C98539663 @default.
- W874208072 hasConceptScore W874208072C115448650 @default.
- W874208072 hasConceptScore W874208072C164126121 @default.
- W874208072 hasConceptScore W874208072C178790620 @default.
- W874208072 hasConceptScore W874208072C181199279 @default.