Using 3D similarity models through active conformation alignment, models were selected according to their performance in distinguishing active compounds, achieving a true-positive rate exceeding 50%. Subsequently, an electrostatic similarity analysis was applied as a second LBVS approach, resulting in two bioactive compounds (6-7, Figure ), with inhibition of S. aureus exceeding 70% and exhibited MIC values ranging from 125 to 250 μM (Asse .