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Pregled bibliografske jedinice broj: 599033

Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase


Rastija, Vesna; Bešlo, Drago; Nikolić, Sonja
Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase // Medicinal chemistry research, 21 (2012), 12; 3984-3993 doi:10.1007/s00044-011-9938-0 (međunarodna recenzija, članak, znanstveni)


Naslov
Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase

Autori
Rastija, Vesna ; Bešlo, Drago ; Nikolić, Sonja

Izvornik
Medicinal chemistry research (1054-2523) 21 (2012), 12; 3984-3993

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
polyphenols; α-glucosidase; inhibitory activity; QSAR

Sažetak
Polyphenols and their derivates have been reported to exhibit inhibitory activity against α- glucosidase. The relationship between structure and inhibitory activity of polyphenols was studied by means of multiple linear regression analysis with use of various descriptors derived from the 2D and 3D representations of molecules and physicochemical parameters calculated by DRAGON. The best model for the prediction of inhibitory activity was obtained using combination of topological charge index (JGI2), information index (CIC2), and number of exoconjugated C atoms (nCconjR). This study revealed that an enhanced inhibitory activity of polyphenols is mainly conditioned by stabilization of molecule due to intramolecular electron and charge delocalization.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija, Farmacija



POVEZANOST RADA


Projekt / tema
022-1770495-2901 - Razvoj modela za procjenu vrijednosti konstanti stabilnosti (Nenad Raos, )
079-0000000-3211 - Odnos strukture i aktivnosti flavonoida (Dragan Amić, )
098-1770495-2919 - Razvoj metoda za modeliranje svojstava bioaktivnih molekula i proteina (Bono Lučić, )

Ustanove
Institut za medicinska istraživanja i medicinu rada, Zagreb,
Fakultet agrobiotehničkih znanosti Osijek,
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Drago Bešlo (autor)

Avatar Url Vesna Rastija (autor)

Avatar Url Sonja Nikolić (autor)

Citiraj ovu publikaciju

Rastija, Vesna; Bešlo, Drago; Nikolić, Sonja
Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase // Medicinal chemistry research, 21 (2012), 12; 3984-3993 doi:10.1007/s00044-011-9938-0 (međunarodna recenzija, članak, znanstveni)
Rastija, V., Bešlo, D. & Nikolić, S. (2012) Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase. Medicinal chemistry research, 21 (12), 3984-3993 doi:10.1007/s00044-011-9938-0.
@article{article, year = {2012}, pages = {3984-3993}, DOI = {10.1007/s00044-011-9938-0}, keywords = {polyphenols, α-glucosidase, inhibitory activity, QSAR}, journal = {Medicinal chemistry research}, doi = {10.1007/s00044-011-9938-0}, volume = {21}, number = {12}, issn = {1054-2523}, title = {Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase}, keyword = {polyphenols, α-glucosidase, inhibitory activity, QSAR} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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