Microbial bioactive compounds from oleaginous yeast culture: insights into molecular docking interactions and toxicity prediction

Red yeasts, particularly from the Rhodotorula genus, have garnered significant interest as valuable sources of metabolites with diverse natural biological activities. Their exceptional potential in producing microbial lipids and carotenoids positions them as highly desirable candidates for a wide range of applications. In this study, we established a cost-effective fermentation process for the simultaneous production of single-cell oil, polyol esters of fatty acids (PEFA), and carotenoids from the oleaginous yeast Rhodotorula babjevae Y-SL7. To achieve this, we utilized lignocellulosic waste as a feedstock for the production of fermentable sugars. The detoxification treatment of acid wheat bran hydrolysate resulted in a decreased presence of inhibitors, consequently leading to an enhanced production of valuable metabolites. The identification of the produced metabolites revealed the presence of torulene (52%), torularhodin (36%), and β-carotene (9.0%) as carotenoids, along with nine PEFA molecules in the form of glycolipids. Molecular docking analyses were performed to gain insights into the interactions of Y-SL7 compounds with specific selected targets. These compounds hold great promise due to their potential therapeutic properties, such as antioxidant, antibacterial, and antiproliferative effects. Furthermore, chemo-computational toxicity measurements and pharmacological analyses on the investigated compounds have conclusively demonstrated their safety and effectiveness as potential drug candidates. By employing Y-SL7 strain and utilizing acid wheat bran hydrolysate as a feedstock, this study not only offers a sustainable solution for converting lignocellulosic waste into valuable bioactive molecules but also provides insights into the potential pharmacological applications of these compounds in various therapeutic areas.