Prediction of anti–inflammatory activity and target synthesis of benzothiazolylpyrazole derivatives

Abstract

This work analyzes drug-likeness and predicts the pharmacokinetic properties of virtual structures of benzothiazolylpyrazole derivatives. Anti-inflammatory activity was predicted using the Molegro Virtual Docker 6.0.1 program. The condensation of benzothiazolyl-substituted 4-aminopyrazole with benzaldehyde, p-hydroxybenzaldehyde and benzoyl chloride has been described for the first time. As a result of targeted synthesis, a number of new benzothiazolylpyrazoles have been obtained. The structure of the products was confirmed by the data of IR spectroscopy.