Pharmacological evaluation as analgesic and anti-inflammatory and molecular docking of newly synthesized nitrogen heterocyclic derivatives

Abstract

Abstract A new class of poly-fused pyrazolo, pyrano, and pyrimidino derivatives 2a , b-9a , b were synthesized in this study, and their biological properties as analgesics and anti-inflammatory agents were examined. The pharmacological activity of some synthesized substances were better than those of reference controls where, compounds 6b , 7b , 8b and 9b have strong analgesic activity in comparison while, compounds 7b , 8a and 9b have strong anti-inflammatory activity. Also, molecular docking, molecular dynamic (MD) simulations and thermodynamic calculation were studied. Detailed synthesis, pharmacological activity, spectroscopic analysis and molecular docking were provided.