To identify potential candidate compounds that can bind to GTases, the crystal structures of various GTases were retrieved from the Protein Data Bank (Chlorella virus: 1CKN and 1CKO; Candida albicans: 1P16; S. cerevisiae: 3KYH). The chemical databases used in our virtual screening included the Sigma-Aldrich, Ambinter, ASINEX, IS Chemical technology, MolPort, and Vitas M Laboratory catalogs. Collectively, these 6 databases offered a collection of 13,800,000 small-molecule compounds.