Prediction of antimalaria activity, cytotoxicity risks and molecular docking of constituents of rosemary essential oil (Rosmarinus officinalis L.) against Plasmodium falciparum

Plasmodium falciparum is a protozoan that causes malaria in its most severe form in humans. Its transmission occurs through female mosquitoes of the genus Anopheles infected by Plasmodium, the most common symptoms are: high fever, chills, headaches, tachycardia and muscle pain. Cerebral malaria may even occur, responsible for most fatal cases of the disease. The objective of this study is an in silico analysis of rosemary essential oil, aiming to identify possible molecules with antimalarial action against Plasmodium falciparum.

Malaria is a disease caused by the protozoan of the genus Plasmodium, transmitted by the bite of females of some species of the mosquito of the genus Anopheles. Out of 100 species, 4 of these protozoa infect humans, with Plasmodium falciparum being the one that leads to the most severe form of the disease, which can lead to death. The treatment of malaria is quite complicated, extensive and most of the time it is not effective due to reinfection.

Chloroquine is part of the treatment plan for malaria, but Plasmodium falciparum over time has become resistant to this drug. Thus, the importance of the synthesis of new antimalarial drugs.

Rosmarinus officinalis is a plant known as rosemary and belongs to the Lamiaceae family, it is widely used in traditional medicine against diseases. Rosemary essential oil and extract are biologically active compounds with strong antioxidant activity, so these antioxidant molecules in rosemary essential oil demonstrate strong potential for the synthesis of new natural antimalarial drugs.