Regarding the Zika virus Mpro, the top two performing compounds in molecular docking were lamellarin S ( ) and lamellarin Z . Both were simulated for 100 ns, each complexed with the Zika Mpro, to perform advanced analysis of binding affinity and complex stability. Both complexes showed excellent stability once they converged after about 15 ns. Both RMSD were within 1 Å, with Zika M pro showing slightly minor perturbations when complexed with lamellarin Z (39) compared to lamellarin S (26).