Atividade anti-Staphylococcus aureus e anti-Klebsiella pneumoniae do cinamaldeído e suas interações com ATP sintase e FtsZ através do docking molecular.

Introduction: bacterial infections have become a major challenge in healthcare due to the emergence and spread of multidrug-resistant bacteria, which has led to increased interest in the development of new antimicrobial agents. Objective: to investigate the antibacterial potential of cinnamaldehyde against Staphylococcus aureus and Klebsiella pneumoniae as well as to study the interactions of this phytochemical with ATP synthase and FtsZ through molecular docking. Methodology: in the in vitro assays, the microdilution technique was applied in 96-well plates to obtain the minimum inhibitory and bactericidal concentration (MIC and MBC). For the in silico assays, the procedure adopted was that of molecular anchoring with the rigid protein (ATP synthase and FtsZ) and the flexible ligand. Results: it was found a strong antibacterial activity against S. aureus and K. pneumoniae of cinnamaldehyde with MIC = 64 and 32 µg/mL respectively and CBM = 128 and 64 µg/mL respectively, with better spectrum of action against Gram negative bacteria. Furthermore, cinnamaldehyde was able to bind ATP synthase and FtsZ with energies of ΔE = -5.10 kcal/mol and ΔE = -5.20 kcal/mol respectively. Conclusion: Cinnamaldehyde has a bactericidal effect against S. aureus and K. pneumoniae and this effect is predictive because of the interactions of this phytochemical with ATP synthase and FtsZ. [ABSTRACT FROM AUTHOR]