Synthesis, Characterization, and In silico Assessment of Novel Pyrazole Carbaldehyde for Antidepressant activity

Abstract

This research delves into the uncharted territory of pyrazole derivatives as potential antidepressants, despite their versatile biological activities. The study primarily focuses on a novel antidepressant designed as a selective serotonin reuptake inhibitor (SSRI) and involves the synthesis of six new pyrazole derivatives through a conventional heating method. These compounds were then subjected to pharmacokinetic prediction and molecular docking studies at the active site of the human serotonin transporter protein enzyme (PDB ID: 5I73) using AutoDock Vina 1.2.3. SwissADME software was utilized to forecast pharmacokinetics, while PreADMET software assessed toxicity. The findings suggest that these derivatives exhibit promising antidepressant properties in comparison to established drugs. The convergence of docking, SwissADME, and toxicity results implies potential avenues for the development of effective antidepressants based on pyrazole derivatives, thereby shedding light on a novel class of compounds with potential applications in mental health treatment.