Supporting Information: Exploring Novel Antimalarial Compounds Targeting Plasmodium falciparum Enoyl-ACP Reductase: Computational and Experimental Insights

• Library 1 with molecules already tested in vitro against PfENR in .sdf format. for the first molecular docking.
• .omv file of data used for ROC curve analysis.
• Library 2 with molecules structurally similar to the leader molecules LD1 and LD2 in .sdf format.
• CHJ and TCL standards used in molecular docking and DM.
• Chain A of the PDB coded structure 4IGE with NADH used in the molecular docking experiment.
• Input files for DM in PDB format:

-  PfENR_NAD_CHJ_DM

- PfENR_NAD_LG1_DM

- PfENR_NAD_LG2_DM

- PfENR_NAD_TCL_DM

• The md file contains all the necessary data, including the scripts, for reproducing Molecular Dynamics.