2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (605-608)
АУТОР(И) / AUTHOR(S): Tamara Drljača, Kristina Stevanović, Draginja Radošević, Jelena Milićević, Nevena Veljković, Sanja Glišić
Е-АДРЕСА / E-MAIL: tamara.drljaca@vin.bg.ac.rs
DOI: 10.46793/ICCBI23.605D
САЖЕТАК / ABSTRACT:
Peroxisome proliferator-activated receptor alpha (PPARα) is crucial in regulating lipid metabolism. Clinically, PPARα is significant as a possible therapeutic target for a variety of human disorders, including cardiovascular, neurological, and metabolic syndromes. The wide range of natural compounds provides great opportunities for new approaches in targeting PPARα. Carotenoids, a large class of natural compounds, have been recognized as PPARα agonists. Tomatoes (Solanum lycopersicum) are one of the most widely grown crops in the world and contain compounds that improve lipid metabolism. Since there is no data on tomato carotenoids as PPARα agonists in this study, we focused on searching carotenoids from tomatoes as possible PPARα agonists. The Solanum lycopersicum carotenoids from Carotenoids Database were in silico screened using a combined protocol with the Electron-Ion Interaction Potential/Average Quasi Valence Number (EIIP/AQVN) filter and molecular docking to find the most promising candidate compounds. The best resulting compounds may have the promise to be further developed as candidates for PPARα agonists.
КЉУЧНЕ РЕЧИ / KEYWORDS:
PPARα, virtual screening, EIIP/AQVN, molecular docking, carotenoids
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