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Pregled bibliografske jedinice broj: 423497

Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine


Šoškić, Milan; Magnus, Volker
Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine // Qsar & combinatorial science, 28 (2009), 11-12; 1276-1283 doi:10.1002/qsar.200960056 (međunarodna recenzija, članak, znanstveni)


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Naslov
Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine

Autori
Šoškić, Milan ; Magnus, Volker

Izvornik
Qsar & combinatorial science (1611-020X) 28 (2009), 11-12; 1276-1283

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

Ključne riječi
indole derivatives ; 3 ; 5-dinitrobenzoyl-phenylglycine ; high-performance liquid chromatography ; quantitative structure-property relationships

Sažetak
Relative binding constants for 50 ring-substituted indolic compounds, most of them with auxin activity, to immobilized 3, 5-dinitrobenzoyl-phenylglycine were determined by high performance liquid chromatography. To learn more about the recognition mechanism, QSPR (quantitative structure-property relationship) analysis was performed. A five-parameter model, based on physico-chemical and structural properties, was obtained which accounted for more than 97% of the variations in the relative binding constants. The robustness of the model was confirmed by internal (q2LOO = 0.952) and external (q2EXT = 0.900) validation. The model suggests that the binding constants of indole derivatives are mainly governed by the electronic and steric properties of the substituents at the indole nucleus. Electron-donating substituents increased affinity, while electron-withdrawing substituents decreased it. Substituents which can form hydrogen-bonds with the acceptor phase further strengthened affinity, while the negative effect of bulky substituents could be ascribed to steric restrictions at the acceptor phase. The relative binding constants of the dihalogenated compounds studied were essentially determined by their substitution patterns.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija



POVEZANOST RADA


Projekti:
098-0982913-2829 - Molekularna regulacija biljnog razvitka (Salopek-Sondi, Branka, MZOS ) ( POIROT)
178-0982929-2259 - Molekulsko prepoznavanje biljnih regulatora rasta (Šoškić, Milan, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Agronomski fakultet, Zagreb

Profili:

Avatar Url Milan Šoškić (autor)

Avatar Url Volker Magnus (autor)

Citiraj ovu publikaciju

Šoškić, Milan; Magnus, Volker
Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine // Qsar & combinatorial science, 28 (2009), 11-12; 1276-1283 doi:10.1002/qsar.200960056 (međunarodna recenzija, članak, znanstveni)
Šoškić, M. & Magnus, V. (2009) Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine. Qsar & combinatorial science, 28 (11-12), 1276-1283 doi:10.1002/qsar.200960056.
@article{article, year = {2009}, pages = {1276-1283}, DOI = {10.1002/qsar.200960056}, keywords = {indole derivatives, 3, 5-dinitrobenzoyl-phenylglycine, high-performance liquid chromatography, quantitative structure-property relationships}, journal = {Qsar and combinatorial science}, doi = {10.1002/qsar.200960056}, volume = {28}, number = {11-12}, issn = {1611-020X}, title = {Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine}, keyword = {indole derivatives, 3, 5-dinitrobenzoyl-phenylglycine, high-performance liquid chromatography, quantitative structure-property relationships} }
@article{article, year = {2009}, pages = {1276-1283}, DOI = {10.1002/qsar.200960056}, keywords = {indole derivatives, 3, 5-dinitrobenzoyl-phenylglycine, high-performance liquid chromatography, quantitative structure-property relationships}, journal = {Qsar and combinatorial science}, doi = {10.1002/qsar.200960056}, volume = {28}, number = {11-12}, issn = {1611-020X}, title = {Interaction of indole derivatives with immobilized 3, 5-dinitrobenzoyl-phenylglycine}, keyword = {indole derivatives, 3, 5-dinitrobenzoyl-phenylglycine, high-performance liquid chromatography, quantitative structure-property relationships} }

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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