Background: Staphylococus epidermidis coagulase negative and gram positive streptococci
have emerged as major nosocomial pathogens associated with the infection of implanted
medical devices and dandruff on human scalp. S. epidermidis filamenting temperature-sensitive
mutant Z (FtsZ) gene encoded FtsZ protein that assembles at future bacterial cell division site that
forms Z-ring structure. FtsZ is a tubulin homolog protein with low sequence similarity; this makes
it possible to inhibit bacterial FtsZ protein without affecting the eukaryote cell division.
Objective: In the present study, phytochemicals of Cinnamomum zeylanicum, Punica granatum
and Glycyrrhiza glabra were virtually screened for their antibacterial activity against Staphylococcus
epidermidis cell division protein, FtsZ.
Methods: Molecular docking method was used to investigate new lead inhibitor against bacterial
cell division protein FtsZ. SwissADME and ProTox tool were used to evaluate the toxicity of the
Results: Molecular docking based screening confirmed that among 122 phytochemicals, β-
Sitosterol and glabrol showed the highest inhibitory activity against FtsZ. SwissADME tool
showed β-Sitosterol and glabrol as the ideal antibacterial agents.
Conclusion: Structure based drug design strategy has been broadly used to optimize antimicrobial
activity of small molecule/ligand against large protein receptor of disease, causing pathogens
which gives a major breakthrough in pharmaceuticals industries. The Molecular docking and
SwissADME tool showed that β-sitosterol and glabrol may be developed to be potential topical
and sublingual antibacterial agents, respectively.