prikaz prve stranice dokumenta Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study
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Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study
Royal Society of Chemistry, 6 (2016); 75014-75022. https://doi.org/10.1039/c6ra17796d
Rimac, Hrvoje; Debeljak, Željko; Šakić, Davor; Weitner, Tin; Gabričević, Mario; Vrček, Valerije; Zorc, Branka; Bojić, Mirza

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Rimac, H., Debeljak, Ž., Šakić, D., Weitner, T., Gabričević, M., Vrček, V. ... Bojić, M. (2016). Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study. Royal Society of Chemistry, 6., 75014-75022. doi: 10.1039/c6ra17796d

Rimac, Hrvoje, et al. "Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study." Royal Society of Chemistry, vol. 6, 2016, str. 75014-75022. https://doi.org/10.1039/c6ra17796d

Rimac, Hrvoje, Željko Debeljak, Davor Šakić, Tin Weitner, Mario Gabričević, Valerije Vrček, Branka Zorc i Mirza Bojić. "Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study." Royal Society of Chemistry 6 (2016): 75014-75022. https://doi.org/10.1039/c6ra17796d

Rimac, H., et al. (2016) 'Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study', Royal Society of Chemistry, 6, str. 75014-75022. doi: 10.1039/c6ra17796d

Rimac H, Debeljak Ž, Šakić D, Weitner T, Gabričević M, Vrček V, i sur.. Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study. Royal Society of Chemistry [Internet]. 2016. [pristupljeno 08.12.2024.];6:75014-75022. doi: 10.1039/c6ra17796d

H. Rimac, et al., "Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study", Royal Society of Chemistry, vol. 6, str. 75014-75022, 2016. [Online]. Dostupno na: https://urn.nsk.hr/urn:nbn:hr:239:069953. [Citirano: 08.12.2024.]

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Podaci o radu
Naslov (engleski)Structural and Electronic Determinants of Flavonoid Binding to Human Serum Albumin: an Extensive Ligand-based Study
AutorHrvoje Rimac
MBZ: 335535
AutorŽeljko Debeljak
MBZ: 296571
AutorDavor Šakić
MBZ: 331134
AutorTin Weitner
MBZ: 250575
AutorMario Gabričević
MBZ: 201964
AutorValerije Vrček
MBZ: 194474
AutorBranka Zorc
MBZ: 80914
AutorMirza Bojić
MBZ: 298301
Autorova ustanova(Klinički bolnički centar Osijek)
Autorova ustanovaSveučilište Josipa Jurja Strossmayera u Osijeku
Medicinski fakultet Osijek
Autorova ustanovaSveučilište u Zagrebu
Farmaceutsko-biokemijski fakultet
Znanstveno / umjetničko
područje, polje i grana		BIOMEDICINA I ZDRAVSTVO
Farmacija
Medicinska biokemija
Sažetak (engleski)
Flavonoids are ubiquitous plant metabolites that interfere with different biological processes in the human organism. After absorption they bind to human serum albumin (HSA), the most abundant carrier protein in the blood which also binds various hormones and drugs. Binding of flavonoids to HSA may impact their distribution, influencing the active concentration in the blood. To determine the most prominent features responsible for binding of 20 different flavonoid aglycones to the IIA region of HSA, in vitro fluorescence measurements and density functional theory (DFT) calculations were conducted. These results were then integrated to elucidate structure–affinity relationships. The presented results reveal that flavones and flavonoles bind most strongly to the IIA region of HSA. There are several electronic and structural determinants associated with flavonoid binding to this HSA region: high C3 nucleophilicity and partial charge of O4, high HOMO and LUMO energies, and coplanarity of AC and B rings. Both steric and electronic characteristics of flavonoids have a great impact on their binding to HSA, with hydrogen donor and acceptor properties and coplanarity being the most prominent.
Jezikengleski
Vrsta publikacijeZnanstveni rad - Pregledni rad
Status objaveObjavljen
Vrsta recenzijeRecenziran - međunarodna recenzija
Verzija publikacijeObjavljena verzija rada (izdavačev PDF)
Naslov časopisaRoyal Society of Chemistry
Brojčani podacivol. 6, str. 75014-75022
e-ISSN2046-2069
DOIhttps://doi.org/10.1039/c6ra17796d
URN:NBNurn:nbn:hr:239:069953
Datum objave publikacije2016
URL dokumentahttps://pubs.rsc.org/en/content/articlelanding/2016/ra/c6ra17796d#!divAbstract
Vrsta resursaTekst
Prava pristupaOtvoreni pristup
Uvjeti korištenjaIkona licence Imenovanje 3.0 (CC BY 3.0)
Datum i vrijeme pohrane2020-05-04 10:34:29