Designing and Screening of New Schiff Bases of Isatins for Antibacterial Activity by In Silico Methods and Docking...

Isatin or tribulin is an indole derivative; the compound was first obtained by Erdmann [1] and Laurent [2] and Erdmann in 1841 as a product from the oxidation of indigo dye by nitric acid and chromic acids. The compound is found in many plants, such as Isatis tinctoria, Calanthe discolor, and Couroupita guianensis. Schiff bases of isatin are investigated for their pharmaceutical properties. Isatins have been found to have various activities such as antiviral, antibacterial, anti-inflammatory, analgesic, anticonvulsan, antidepressant anti-HIV, fungicidal, etc. In this study, we focus on isatin derivatives for antibacterial activity. Isatin derivatives are docked on two targets, glucoseamine-6-phosphate synthase (PDB ID:2VF%) and dihydropteroate synthase (PDB ID: 1AJ0) enzymes that are potential targets for antibacterial and antifungal agents. The in silico results and docking scores of the isatin derivatives were compared with standard drugs.