In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts of Nigella sativa and Pimpinella anisum as Potential Inhibitors of 3CL Protease of SARS-CoV-2.
Scientists synthesized zinc oxide nanoparticles using olive and black seed essential oils and investigated 27 bioactive compounds, including ZnO, as potential inhibitors for the SARS-CoV-2 main protease. The study optimized dithymoquinone, δ-hederin, oleuropein, and ZnO, which showed promising results in molecular docking studies and molecular dynamics simulations. Further experimental validation of these compounds is required before considering them for clinical trials as a potent inhibitor of COVID-19.
- Hendi AA et al (2022).
- Molecules.
- PubMed:
- 35807545