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Pregled bibliografske jedinice broj: 1203671

Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies


Lončarić, Melita; Strelec, Ivica; Pavić, Valentina; Rastija, Vesna; Karnaš, Maja; Molnar, Maja
Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies // Frontiers in chemistry, 10 (2022), 912822, 15 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 1203671 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies

Autori
Lončarić, Melita ; Strelec, Ivica ; Pavić, Valentina ; Rastija, Vesna ; Karnaš, Maja ; Molnar, Maja

Izvornik
Frontiers in chemistry (2296-2646) 10 (2022); 912822, 15

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

Ključne riječi
2, 4-thiazolidinedione ; synthesis ; deep eutectic solvents ; green chemistry ; lipoxygenase ; QSAR ; molecular docking

Sažetak
Thiazolidinediones are five-membered, heterocyclic compounds that possess a number of pharmacological activities such as antihyperglycemic, antitumor, antiarthritic, anti-inflammatory, and antimicrobial. Conventional methods for their synthesis are often environmentally unacceptable due to the utilization of various catalysts and organic solvents. In this study, deep eutectic solvents were used in the synthesis of thiazolidinedione derivatives that acted as both solvents and catalysts. Initially, a screening of 20 choline chloride- based deep eutectic solvents for thiazolidinedione synthesis, via Knoevenagel condensation, was performed in order to find the most suitable solvent. Deep eutectic solvent, choline chloride, N-methylurea, was proven to be the best for further synthesis of 19 thiazolidinedione derivatives. Synthesized thiazolidinediones are obtained in yields from 21.49% to 90.90%. The synthesized compounds were tested for the inhibition of lipid peroxidation as well as for the inhibition of soy lipoxygenase enzyme activity. The antioxidant activity of the compounds was also determined by the ABTS and DPPH methods. Compounds showed lipoxygenase inhibition in the range from 7.7% to 76.3%. Quantitative structure–activity relationship model (R2 = 0.88 ; Q2 loo = 0.77 ; F = 33.69) for the inhibition of soybean lipoxygenase was obtained with descriptors Mor29m, G2u, and MAXDP. The molecular docking confirms experimentally obtained results, finding the binding affinity and interactions with the active sites of soybean LOX-3.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija, Prehrambena tehnologija



POVEZANOST RADA


Projekti:
HRZZ-UIP-2017-05-6593 - Zelene tehnologije u sintezi heterocikličkih spojeva (GREENNESS) (Molnar, Maja, HRZZ ) ( POIROT)


Citiraj ovu publikaciju:

Lončarić, Melita; Strelec, Ivica; Pavić, Valentina; Rastija, Vesna; Karnaš, Maja; Molnar, Maja
Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies // Frontiers in chemistry, 10 (2022), 912822, 15 (međunarodna recenzija, članak, znanstveni)
Lončarić, M., Strelec, I., Pavić, V., Rastija, V., Karnaš, M. & Molnar, M. (2022) Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies. Frontiers in chemistry, 10, 912822, 15.
@article{article, author = {Lon\v{c}ari\'{c}, Melita and Strelec, Ivica and Pavi\'{c}, Valentina and Rastija, Vesna and Karna\v{s}, Maja and Molnar, Maja}, year = {2022}, pages = {15}, chapter = {912822}, keywords = {2, 4-thiazolidinedione, synthesis, deep eutectic solvents, green chemistry, lipoxygenase, QSAR, molecular docking}, journal = {Frontiers in chemistry}, volume = {10}, issn = {2296-2646}, title = {Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies}, keyword = {2, 4-thiazolidinedione, synthesis, deep eutectic solvents, green chemistry, lipoxygenase, QSAR, molecular docking}, chapternumber = {912822} }
@article{article, author = {Lon\v{c}ari\'{c}, Melita and Strelec, Ivica and Pavi\'{c}, Valentina and Rastija, Vesna and Karna\v{s}, Maja and Molnar, Maja}, year = {2022}, pages = {15}, chapter = {912822}, keywords = {2, 4-thiazolidinedione, synthesis, deep eutectic solvents, green chemistry, lipoxygenase, QSAR, molecular docking}, journal = {Frontiers in chemistry}, volume = {10}, issn = {2296-2646}, title = {Green Synthesis of Thiazolidine-2,4-dione Derivatives and Their Lipoxygenase Inhibition Activity With QSAR and Molecular Docking Studies}, keyword = {2, 4-thiazolidinedione, synthesis, deep eutectic solvents, green chemistry, lipoxygenase, QSAR, molecular docking}, chapternumber = {912822} }

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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