E.T. Oganesian, D.S. Zolotykh, I.P. Kodonidi, T.A. Lisenko

Quinazlin-4-one derivatives with amino acid and dipeptide residues have been synthesized. In the core of quinazolin-4-on residues of p-aminosalycilic acid, p-aminobenzoic acid, glycylglycin, alanylvaline, glycyltyrosine and triglycylglycine were incorporated.We carried out the prediction of anti-inflammatory nd analgesic activity for new compounds on the base of testsample, including compounds from literature. Values of analgesic and antiinflammatory activity for compoinds of test sample were taken from literature. For gained substances the prediction of anti-inflammatory and analgesic activity was executed with the help of molecular docking and molecular descriptors. Using such methods, prediction models were proposed. Gained models were subjected to crossvalidation with exeption of one compound. On their base were estimated leader-compounds. We executed anti-inflammatory and analgesic activity in vivo for synthesized substances and checked out QSAR for them. Obtained data confirmed compliance between experimental data and prediction model.