Target Based Virtual Screening of New Leads Inhibitor against Bacterial Cell Division Protein FtsZ for the Discovery of Antibacterial Agents.

Staphylococus epidermidis coagulase negative and gram positive streptococci have emerge as major nosocomial pathogens associated with infection of implanted medical devices and dandruff in human scalp. S. epidermidis filamenting temperature-sensitive mutant Z (FtsZ) gene encoded FtsZ protein that assembles at future bacterial cell division site that form Z-ring structure. FtsZ is a tubulin homologue protein with low sequence similarity; this makes it possible to inhibit bacterial FtsZ protein without affecting the eukaryote cell division.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.Molecular docking method were used to investigate new leads inhibitor against bacterial cell division protein FtsZ. SwissADME and ProTox tool were used to evaluate toxicity of lead molecule.Molecular docking based screening confirmed among 122 phytochemicals β-Sitosterol and glabrol showed the highest inhibitory activity against FtsZ. SwissADME tool showed β-Sitosterol and glabrol ideal antibacterial agents.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 gives a major breakthrough in pharmaceuticals industries. The Molecular docking and SwissADME tool showed that β-sitosterol and glabrol may be developed to a potential topical and sublingual antibacterial agent respectively.