IN SILICO PREDICTION OF BIOLOGICAL ACTIVITY OF BROMO DERIVATIVES OF HYDROACRIDINES

The aim of the work was to establish spect­rum biological activity new derivatives 9-bromo-1,2,3,4-tetrahydroacridine due limi­ted amount literature data. In silico prediction selected bromo-derivatives hydrogenated acridines performed using SuperPred 3.0 web resource. obtained results were compared with active drugs that contain acridine cycle in their structure - Tacrine, Amiridine and Amsacrine. Results ≤80% taken into account. most promising compound 9-bromo-1,2,3,4-tetra­hydro­acridine. A common predicted target for bro­mide-hydrogenated all three is DNA-(apurine or apyrimidine site) lyase binding probabilities ranging from 82-97.5%. Common targets derivatives, Tacrine Amsacrine are butyrylcholinesterase (90.4-98.2%) transcription factor 1-α (92.02-98.01 %). Cathepsin D, toll-like receptor 8 glucose transporter further research, but it should be noted probability these below 80%. All compounds tested Lipinski's criteria. addition, acute toxicity rats four types administration. safest according oral method administration 9-bromo-2-tert-butyl-1,2,3,4-tetrahyd­ro­ac­ridine (1570 mg/kg), while 9-bromo-1,2 turned out more toxic than others ,3,4-tetrahydroacridine (565.3 mg/kg). estimated average lethal dose after a single 40 mg/kg. confirmed prospects research among class bromoderivatives acridines.