Matches in SemOpenAlex for { <https://semopenalex.org/work/W3175737422> ?p ?o ?g. }
- W3175737422 endingPage "10382" @default.
- W3175737422 startingPage "10373" @default.
- W3175737422 abstract "Prenylated (iso)flavonoid-type compounds are a subclass of natural flavonoids that have been reported to exhibit good antioxidant properties. In the present paper, the structure–activity relationship of three typical prenylated (iso)flavonoids namely 8-prenyldaidzein (Per), Licoflavone (Lic), and erysubin F (Ery) have been determined using DFT (density functional theory)-based calculations and molecular docking studies. As result, the CH bond of the prenyl substituent was found to be the most thermodynamically favorable site for trapping free radicals in the gas phase and lipid physiological environments. While the OH bond of the B-ring seems to be more reactive in water. HAT (hydrogen atom transfer) and SPLET (sequential proton loss electron transfer) play a decisive role in the antiradical activity of the studied compounds in lipid and polar physiological environments, respectively. All of the studied compounds exhibit strong binding affinity to both xanthine oxidase and inducible nitric oxide synthase enzymes by forming several hydrogen bonds and hydrophobic interactions with their respective catalytic sites. These results suggest that (iso)flavonoid-type compounds are promising radical scavengers and antioxidants.Communicated by Ramaswamy H. Sarma." @default.
- W3175737422 created "2021-07-05" @default.
- W3175737422 creator A5051000570 @default.
- W3175737422 date "2021-06-28" @default.
- W3175737422 modified "2023-10-16" @default.
- W3175737422 title "Structure-activity relationship of antioxidant prenylated (iso)flavonoid-type compounds: quantum chemistry and molecular docking studies" @default.
- W3175737422 cites W1748602285 @default.
- W3175737422 cites W1800678382 @default.
- W3175737422 cites W1964500882 @default.
- W3175737422 cites W1970778506 @default.
- W3175737422 cites W1973729472 @default.
- W3175737422 cites W1974782807 @default.
- W3175737422 cites W1979933749 @default.
- W3175737422 cites W1990878156 @default.
- W3175737422 cites W1995078515 @default.
- W3175737422 cites W2007374519 @default.
- W3175737422 cites W2010821874 @default.
- W3175737422 cites W2011215428 @default.
- W3175737422 cites W2028823380 @default.
- W3175737422 cites W2032792738 @default.
- W3175737422 cites W2037459593 @default.
- W3175737422 cites W2041683657 @default.
- W3175737422 cites W2050732772 @default.
- W3175737422 cites W2067670322 @default.
- W3175737422 cites W2086569109 @default.
- W3175737422 cites W2089842365 @default.
- W3175737422 cites W2092678853 @default.
- W3175737422 cites W2096015727 @default.
- W3175737422 cites W2103062085 @default.
- W3175737422 cites W2116360537 @default.
- W3175737422 cites W2117779115 @default.
- W3175737422 cites W2130539506 @default.
- W3175737422 cites W2138562665 @default.
- W3175737422 cites W2138841645 @default.
- W3175737422 cites W2144862608 @default.
- W3175737422 cites W2148975481 @default.
- W3175737422 cites W2150697053 @default.
- W3175737422 cites W2156774955 @default.
- W3175737422 cites W2157242394 @default.
- W3175737422 cites W2316349515 @default.
- W3175737422 cites W2565383127 @default.
- W3175737422 cites W2663091579 @default.
- W3175737422 cites W2739943232 @default.
- W3175737422 cites W2766497474 @default.
- W3175737422 cites W2885002980 @default.
- W3175737422 cites W2900212765 @default.
- W3175737422 cites W2908616793 @default.
- W3175737422 cites W2941581096 @default.
- W3175737422 cites W2970459315 @default.
- W3175737422 cites W2979761521 @default.
- W3175737422 cites W2979825619 @default.
- W3175737422 cites W2991611919 @default.
- W3175737422 cites W3004563230 @default.
- W3175737422 cites W3011725053 @default.
- W3175737422 cites W3014042404 @default.
- W3175737422 cites W3017192922 @default.
- W3175737422 cites W3032644193 @default.
- W3175737422 cites W3041717653 @default.
- W3175737422 cites W3086326919 @default.
- W3175737422 cites W3127113590 @default.
- W3175737422 doi "https://doi.org/10.1080/07391102.2021.1943529" @default.
- W3175737422 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34176432" @default.
- W3175737422 hasPublicationYear "2021" @default.
- W3175737422 type Work @default.
- W3175737422 sameAs 3175737422 @default.
- W3175737422 citedByCount "7" @default.
- W3175737422 countsByYear W31757374222021 @default.
- W3175737422 countsByYear W31757374222022 @default.
- W3175737422 countsByYear W31757374222023 @default.
- W3175737422 crossrefType "journal-article" @default.
- W3175737422 hasAuthorship W3175737422A5051000570 @default.
- W3175737422 hasConcept C112887158 @default.
- W3175737422 hasConcept C123669783 @default.
- W3175737422 hasConcept C139066938 @default.
- W3175737422 hasConcept C145148216 @default.
- W3175737422 hasConcept C147597530 @default.
- W3175737422 hasConcept C152365726 @default.
- W3175737422 hasConcept C159110408 @default.
- W3175737422 hasConcept C178790620 @default.
- W3175737422 hasConcept C181199279 @default.
- W3175737422 hasConcept C185592680 @default.
- W3175737422 hasConcept C2778004101 @default.
- W3175737422 hasConcept C2779054382 @default.
- W3175737422 hasConcept C30095370 @default.
- W3175737422 hasConcept C32909587 @default.
- W3175737422 hasConcept C41183919 @default.
- W3175737422 hasConcept C41685203 @default.
- W3175737422 hasConcept C53323650 @default.
- W3175737422 hasConcept C57790582 @default.
- W3175737422 hasConcept C71240020 @default.
- W3175737422 hasConcept C71924100 @default.
- W3175737422 hasConcept C75473681 @default.
- W3175737422 hasConceptScore W3175737422C112887158 @default.
- W3175737422 hasConceptScore W3175737422C123669783 @default.
- W3175737422 hasConceptScore W3175737422C139066938 @default.
- W3175737422 hasConceptScore W3175737422C145148216 @default.
- W3175737422 hasConceptScore W3175737422C147597530 @default.
- W3175737422 hasConceptScore W3175737422C152365726 @default.