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

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.