prikaz prve stranice dokumenta Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies
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Scientific paper - Original scientific paper
Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies
International Journal o f Molecular Sciences, 22 (2021), 14; 7283. https://doi.org/10.3390/ijms22147283
Rastija, Vesna; Vrandečić, Karolina; Ćosić, Jasenka; Majić, Ivana; Kanižai Šarić, Gabriella; Agić, Dejan; Karnaš, Maja; Lončarič, M.; Molnar, M.

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Rastija, V., Vrandečić, K., Ćosić, J., Majić, I., Kanižai Šarić, G., Agić, D. ... Molnar, M. (2021). Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies. International Journal o f Molecular Sciences, 22. (14). doi: 10.3390/ijms22147283

Rastija, Vesna, et al. "Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies." International Journal o f Molecular Sciences, vol. 22, no. 14, 2021. https://doi.org/10.3390/ijms22147283

Rastija, Vesna, Karolina Vrandečić, Jasenka Ćosić, Ivana Majić, Gabriella Kanižai Šarić, Dejan Agić, Maja Karnaš, M. Lončarič and M. Molnar. "Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies." International Journal o f Molecular Sciences 22, no. 14 (2021). https://doi.org/10.3390/ijms22147283

Rastija, V., et al. (2021) 'Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies', International Journal o f Molecular Sciences, 22(14). doi: 10.3390/ijms22147283

Rastija V, Vrandečić K, Ćosić J, Majić I, Kanižai Šarić G, Agić D, and sur.. Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies. International Journal o f Molecular Sciences [Internet]. 2021 July 06 [cited 2024 December 12];22(14). doi: 10.3390/ijms22147283

V. Rastija, et al., "Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies", International Journal o f Molecular Sciences, vol. 22, no. 14, July 2021. [Online]. Available at: https://urn.nsk.hr/urn:nbn:hr:151:960814. [Accessed: 12 December 2024]

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Metadata
Title (english)Biological Activities Related to Plant Protection and Environmental Effects of Coumarin Derivatives: QSAR and Molecular Docking Studies
AuthorVesna Rastija
AuthorKarolina Vrandečić
AuthorJasenka Ćosić
AuthorIvana Majić
AuthorGabriella Kanižai Šarić
AuthorDejan Agić
AuthorMaja Karnaš
AuthorM. Lončarič
AuthorM. Molnar
Author's institutionJosip Juraj Strossmayer University of Osijek
Faculty of Agrobiotechnical Sciences Osijek
(Department of agroecology and Enviroment Protection)
Scientific / art field,
discipline and subdiscipline		BIOTECHNICAL SCIENCES
Agronomy
Agrochemistry
Abstract (english)
The aim was to study the inhibitory effects of coumarin derivatives on the plant pathogenic fungi, as well as beneficial bacteria and nematodes. The antifungal assay was performed on four cultures of phytopathogenic fungi by measuring the radial growth of the fungal colonies. Antibacterial activity was determined by the broth microdilution method performed on two beneficial soil organisms. Nematicidal activity was tested on two entomopathogenic nematodes. The quantitative structure-activity relationship (QSAR) model was generated by genetic algorithm, and toxicity was estimated by T.E.S.T. software. The mode of inhibition of enzymes related to the antifungal activity is elucidated by molecular docking. Coumarin derivatives were most effective against Macrophomina phaseolina and Sclerotinia sclerotiorum, but were not harmful against beneficial nematodes and bacteria. A predictive QSAR model was obtained for the activity against M. phaseolina (R2 tr = 0.78; R2 ext = 0.67; Q2 loo = 0.67). A QSAR study showed that multiple electron-withdrawal groups, especially at position C-3, enhanced activities against M. phaseolina, while the hydrophobic benzoyl group at the pyrone ring, and –Br, –OH, –OCH3, at the benzene ring, may increase inhibition of S. sclerotiourum. Tested compounds possibly act inhibitory against plant wall-degrading enzymes, proteinase K. Coumarin derivatives are the potentially active ingredient of environmentally friendly plant-protection products.
Keywords (english)
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - domestic
Publication versionPublished version
Journal titleInternational Journal o f Molecular Sciences
Numberingvol. 22, no. 14, 7283
e-ISSN1422-0067
DOIhttps://doi.org/10.3390/ijms22147283
URN:NBNurn:nbn:hr:151:960814
Publication2021-07-06
Document URLhttps://www.mdpi.com/1422-0067/22/14/7283
Type of resourceText
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2024-06-13 15:28:16