Unveiling the structural and retrosynthetic mechanism of some 2-aziridinyl- and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate compounds as treatment of malaria parasite, Plasmodium falciparum: MD simulation, binding free energy calculation, and thermodynamic studies
2025In Silico Research in BiomedicineJournalOpen access
10.1016/j.insi.2025.100162Full text5 citations