Design, Synthesis and In-silico study of Isatin Derivatives as Potential Anti-Asthmatic Activity

Asthma is a chronic inflammatory airway disease that affects millions worldwide, necessitating the development of novel therapeutic agents. Isatin and its derivatives have gained significant attention due to their diverse biological activities. This study aims to design, synthesize, and evaluate the anti-asthmatic potential of novel Isatin derivatives through in silico approaches. Three novel Isatin derivatives (C1, C2, and C3) were synthesized and characterized using Thin Layer Chromatography (TLC). Their biological activities were predicted using PASS analysis, and molecular docking studies were performed to assess their interaction with phosphodiesterase-4 (PDE-4), a key target in asthma treatment. Among the synthesized compounds, C3 exhibited the highest binding affinity (-10.2 kcal/mol), surpassing the standard PDE-4 inhibitor roflumilast (-9.8 kcal/mol), suggesting strong anti-inflammatory and bronchodilatory potential. C2 (-9.5 kcal/mol) showed promising activity, comparabl to montelukast, while C1 (-9.1 kcal/mol) demonstrated moderate efficacy similar to theophylline. These findings highlight the potential of Isatin derivatives as promising candidates for asthma management. Further in vitro and in vivo studies are warranted to validate their therapeutic efficacy and safety.