Pregled bibliografske jedinice broj: 599033
Two-dimensional quantitative structure–activity relationship study on polyphenols as inhibitors of α-glucosidase
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)
CROSBI ID: 599033 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
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
Projekti:
MZOS-022-1770495-2901 - Razvoj modela za procjenu vrijednosti konstanti stabilnosti (Raos, Nenad, MZOS ) ( CroRIS)
MZOS-079-0000000-3211 - Odnos strukture i aktivnosti flavonoida (Amić, Dragan, MZOS ) ( CroRIS)
MZOS-098-1770495-2919 - Razvoj metoda za modeliranje svojstava bioaktivnih molekula i proteina (Lučić, Bono, MZOS ) ( CroRIS)
Ustanove:
Fakultet agrobiotehničkih znanosti Osijek,
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
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
