Korespondensi : Computational analysis of ethyl acetate extract of Nauclea subdita (Korth.) Steud. leaves as peptidoglycan glycosyltransferase inhibitor in Aeromonas hydrophila

Abstract

Aeromonas hydrophilais a cause of MotileAeromonad Septicemia (MAS) disease in freshwater fish, which is often endemic and causes significant losses in a freshwater fish farming business.Aeromonashydrophilabelongs to the group of gram-negative bacteria and has a complex cell wall consisting ofthree layers, namely the outer layer in the form of lipoprotein, the middle layer in the form lipopolysaccharide and the inner layer in the form of peptidoglycan. GC-MS analysis of ethyl acetate extract ofNauclea subditaleaves was assayed in silico.Sevencompounds from GC-MS analysis have potential as glycosyltransferase peptidoglycan inhibitorswithhighest probability of being active. Peptidoglycan glycosyltransferases play a role in the cell cycle, cell shape, and cell wall. In this study, we conducted a molecular docking ofsevencompounds for peptidoglycan glycosyltransferase.Binding AffinityEnergy(Kcal/mol) ofsevencompoundswas better than beta-lactam as a comparative control. Thesevenof fourteencompounds found also adhere to Lipinski's rules on five criteria to indicate these compounds being safely used asoraldrugs