Synthesis, Computational Studies of New Chalcone Derivatives as Anxiolytics and Skeletal Muscle Relaxants.

Introduction: Chalcone derivatives are known for their diverse biological activities, including anxiolytic and skeletal muscle relaxant properties. Recent studies indicate that structural modifications can enhance their therapeutic effectiveness. This study aimed to synthesize and biologically evaluate novel chalcone derivatives, investigating their structure-activity relationship through computational studies and assessing their pharmacological potential.

Methods: Five chalcone derivatives (P1-P5) were synthesized via Claisen-Schmidt condensation and characterized using infrared spectroscopy (IR) and nuclear magnetic resonance (NMR) spectroscopy. Their physicochemical and pharmacokinetic profiles were analyzed via SWISS ADME, confirming drug-likeness. Biological assessments, including the Elevated Plus Maze (EPM), Open Field Test (OFT), Hole Board Test (HBT), and Rotarod Test, were conducted to evaluate anxiolytic and muscle-relaxant activities.

Results: The synthesized chalcones exhibited yields of 60%-75% and complied with Lipinski's rule, showing no violations. Among the tested compounds, P2 demonstrated the highest anxiolytic activity, as evidenced by increased exploratory behaviour in EPM, OFT, and HBT. P1 exhibited the strongest skeletal muscle relaxant effect in the Rotarod Test, comparable to diazepam.

Discussion: The study findings suggest that these chalcone derivatives may serve as promising candidates for anxiolytic and muscle-relaxant therapy. Computational analysis supports their pharmacokinetic suitability. Further research is necessary to explore their mechanisms and potential clinical applications.

Conclusion: Chalcone derivatives (P1-P5) were successfully synthesized and studied. They showed strong effects for reducing anxiety and relaxing muscles, making them worthy of further research.