<![CDATA[Artemisinin Combination Therapy (ACT) currently serves as the primary regimen for global malaria treatment. However, the widespread emergence of artemisinin resistance poses a critical threat that risks severely diminishing the therapeutic value of the existing regimens. This growing clinical challenge underscores an urgent need to identify antimalarial drug candidates with distinct mechanism of action. This computational study investigates myricetin, a flavonoid compound derived from chia seeds (Salvia hispanica L.), as a potential candidate with antimalarial and anti-inflammatory activity. Myricetin was evaluated based on predicted pharmacokinetic behavior, toxicity risk, and drug-likeness, using artemisinin as a reference compound. Docking analysis was performed to examine predicted interactions between myricetin and Plasmodium falciparum enzymes (plasmepsin-II and falcipain-2), as well as inflammation-related targets (TNF-α and IL-10). ADME analysis outlined characteristics regarding absorption, distribution, metabolism, and excretion, while toxicity models indicated potential nephrotoxicity and respiratory toxicity. Predictions of myricetin interactions with plasmepsin-II and falcipain-2 proteins suggested favorable predicted binding to the active sites of the proteins with MolDock scores of -239.2 kJ/mol and -215 kJ/mol, respectively. Furthermore, predictions of myricetin interactions with TNF-α and IL-10 suggested possible relevance to inflammation-related pathways, although these computational findings cannot confirm cytokine regulation. Based on Lipinski and Ghose drug-likeness screening criteria, myricetin exhibited a drug-like profile generally comparable to that of artemisinin. Overall, myricetin represents a promising computational lead candidate for the development of antimalarial and anti-inflammatory drugs. However, further cell-based assays (in vitro), animal studies (in vivo), pharmacokinetic evaluations, and toxicity confirmation are required before drawing conclusions regarding efficacy, safety, or the effects of oral administration.]]>
