Design, green synthesis, molecular docking, computational analysis, intermolecular interactions energy, antiinflammatory and antioxidant effect of an α - hydroxyphosphonate.

Abstract

This Work has been devoted to the synthesis of α-hydroxyphosphonates derivative by two methods: classical and microwave method the physicochemical characterization of this molecule was carried out by the chromatographic and spectroscopic methods (TLC, UV-vis, and IR).The anti- inflammatory effect of our molecule was evaluated in silico using a molecular docking of our molecule with JAK1 and JAK2 and in vitro was evaluated using the protein denaturation inhibition test. The antioxidant effect was evaluated in silico using a molecular docking of our molecule with PRDX5 and in vitro using a chemical method of DPPH radical scavenger (IC 50). Lipinski’s rules, absorbance and toxicity of our molecule were compared with two types of drugs. This study allowed it was concluded that the resulting compound has significant anti-inflammatory and antioxidant activity.