Data on the interaction of tested compounds with F. culmorum TRI5 protein containing the inorganic pyrophosphate (PPi) or FPP.

The dataset contains:

Table S1: H-bond interaction of tested ligands protein (TRI5-PPi) and logP of the ligands;

Table S2: H-bond interaction of tested ligands-protein (TRI5-FPP) of the ligands;Figure S1: Estimated hydrophobic interactions of compounds 4, 5, 7 and 12 with the amino acidsresidues of TRI5-FPP;

Table S3: Estimated hydrophobic interactions of compounds 4, 5, 7 and 12 withthe amino acids residues of TRI5-FPP illustrated in Figure S1;

Table S4: Measurement of pH in liquid Vogel’s medium amended with βCD (3 mM) and different phenolic compounds at 0.25 mM after 0,1, 3, 4, 5, 6, 8, 10 and 14 days (d) post inoculation with F. culmorum wild-type FcUK99 at 25°C. *pKa of the carboxylic group; #pKa of the second phenolic -OH group

These data are supplementary materials of the publication "Molecular Docking and Comparative Inhibitory Efficacy of Naturally Occurring Compounds on Vegetative Growth and Deoxynivalenol Biosynthesis in Fusarium culmorum" (DOI: 10.3390/toxins13110759).