Abstract Malaria, a life-threatening disease caused by Plasmodium parasite, spread by the bite of Anopheles mosquito. The emergence and rapid spread of drug-resistant strains against frontline treatments prompted the need for novel antimalarial drugs. In the present study, phytochemicals from the Terminalia arjuna were evaluated using computational tools to assess their drug likeliness, pharmacokinetic properties and potential inhibitory activity against key enzymes of the heme degradation pathway- Falcipain-2, Falcipain-3 and Plasmepsin-2. On the basis of ADME and toxicity assessment, 24 compounds were shortlisted for molecular docking study, out of these several compounds exhibited strong binding affinities towards the target proteins, with binding energies surpassing that of the reference drug-chloroquine. Notably, Friedelin showed good interaction with Falcipain-2, displaying a binding energy of -10.2kcal/mol, indicating its potential as promising lead compound. These findings supports the therapeutic potential of T. arjuna metabolites and highlights its value for future experimental validation and antimalarial drug development.