IN SILICO APPROACH TARGETING POLYPHENOL AS FABH INHIBITOR IN BACTERIAL INFECTION

Objective: The aim of the study is to perform a computational consisting molecular docking for polyphenols subjected in silico studies identify new lead antimicrobial activity which has been reported yet or not used yet. Methods: Schrödinger Maestro 11.3 performed enzyme FabH (β-ketoacyl-acyl carrier protein synthase III) (PDB ID: 5BNR) with polyphenol. targeted compounds were docked against and also evaluated MM-GBSA ADMET analysis. Results: top hits shows remarkable results good binding interactions pocket enzyme. best score are as-8.6 (kcal/mol) Geniestein,-8.579 4-naphthoquinone,-7.651(kcal/mol) Pelargonidin. All found given limits parameters. They showed free-binding energy. Conclusion: reveals that show compatible So, this, we can conclude be potent bacterial infection. In future, if derivatized these different substitutions, it potential drug moiety