Digitalni repozitorijum
Univerziteta u Beogradu
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Investigation of the radical scavenging potential of vanillin-based pyrido-dipyrimidines: experimental and in silico approach
Janković, Nenad
Tadić, Julijana
Milović, Emilija
Marković, Zoran
Jeremić, Svetlana
Petronijević, Jelena
Joksimović, Nenad
Borović, Teona Teodora
Bukhari, Syed Nasir Abbas
Abstract: Antioxidants have a significant contribution in the cell protection against free radicals which may induce oxidative stress, and permanently damage the cells causing different disorders such as tumors, degenerative diseases, and accelerated aging. Nowadays, a multi-functionalized heterocyclic framework plays an important role in drug development, and it is of great importance in organic synthesis and medicinal chemistry. Encouraged by the bioactivity of the pyrido-dipyrimidine scaffold and vanillin core, herein, we made an effort to thoroughly investigate the antioxidant potential of the vanillin-based pyrido-dipyrimidines A–E to reveal novel promising free radical inhibitors. The structural analysis and the antioxidant action of the investigated molecules were performed in silico by DFT calculations. Studied compounds were screened for their antioxidant capacity using in vitro ABTS and DPPH assays. All the investigated compounds showed remarkable antioxidant activity, especially derivative A exhibiting inhibition of free radicals at the IC50 value (ABTS and DPPH assay 0.1 mg ml−1 and 0.081 mg ml−1, respectively). Compound A has higher TEAC values implying its stronger antioxidant activity compared to a trolox standard. The applied calculation method and in vitro tests confirmed that compound A has a strong potential against free radicals and may be a novel candidate for application in antioxidant therapy.
engleski
2023
Ovo delo je licencirano pod uslovima licence
Creative Commons CC BY-NC 4.0 - Creative Commons Autorstvo - Nekomercijalno 4.0 International License.
http://creativecommons.org/licenses/by-nc/4.0/legalcode
10.1039/d3ra02469e