SCREENING OF 4-([1,3,4]OXADIAZINO[6,5-b] INDOLE-3-YL)ANILINE DERIVATIVES FOR ANTI-BACTERIAL ACTIVITY BY IN-SILICO AND IN-VITRO METHODS

Schiff bases of isatin are investigated overtime for their pharmaceutical properties and have been found to have various activities such as anti-viral, anti-bacterial, anti-inflammatory, analgesic, anti-HIV, anti-depressant, anti-convulsant, fungicidal, etc. Isatins are treated with hydrazine derivatives and cyclized by sulfuric acid. These compounds are alkylated by di alkyl aminoalkyl halides in specific catalysed conditions. In this study we focus on 4-([1,3,4]oxadiazino[6,5-b] indole-3-yl)aniline derivatives for anti-bacterial activity. Based on literature, glucoseamine-6-phosphate synthase (PDB ID: 2VF5) and dihydropteroate synthase (PDB ID: 1AJ0) enzymes are chosen as potential targets as showed activity for antibacterial and antifungal agents. The in-silico studies were carried out using Swiss ADME and Molinspiration in-silico tools and scoring of molecular docking i.e., virtual screening was done by using AutoDock v.4.0. The in-vitro studies were carried out in the lab using cup-plate method and the zone of inhibition (in mm) was measured. The in-silico results were compared with that of in-vitro and a comparison was drawn. The activity of the compounds was found to have correlated.