One?Pot Microwave?Assisted Synthesis, in Vitro Anti?inflammatory Evaluation and Computer?Aided Molecular Design of Novel Sulfamide?Containing Bisphosphonates Derivatives

An eco-friendly and one-step microwave-assisted green synthesis of new functionalized bisphosphonates derivatives was described by a three-component reaction aromatic sulfamide with triethyl orthoformate diethyl phosphite. The synthesized compounds were characterized 1H, 13C, 31P NMR IR analysis. Some these tested for in vitro anti-inflammatory activity showed moderate inhibition compared to diclofenac as standard drug. Furthermore, rationalize the observed biological data, several silico approaches have been used explain Structure-Activity Relationship study (SAR) based on DFT calculation, molecular docking, pharmacodynamic, pharmacokinetic toxicity profiles sulfamide-containing drugs. results activities prove that compound 4 b ideal structural requirements further development novel agents.