Synthesis of Isatin Derivatives Using Silver Nanoparticles as Green Catalyst: Study of Molecular Docking Interactions in SARS-CoV-2 3c-Like Protease and Determination of Cytotoxic Activities of the Compounds

The coronavirus disease (COVID-19) is caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). As isatin-containing compounds exhibit several remarkable biological activities, isatin derivatives were prepared to combat global pandemic SARS-CoV-2 that gripping world. Herein, synthesis of novel has been reported. cytotoxic activities determined using cancer cell (MCF-7) and normal (MCF-10A MRC-5) lines. In silico molecular docking experiments conducted AutoDock Vina. We have successfully predicted binding energies number hydrogen bonds present. also identified residues involved in bond formation. target synthesized Schiff base following cyclization Knoevenagel condensation reactions. focused on recyclable silver nanoparticles (AgNPs) extracts obtained from Dipteryx odorata. used reduce ions for production AgNPs. exhibited excellent catalytic during ethanol. formation confirmed Fourier transform-infrared (FT-IR), proton nuclear magnetic resonance (1H NMR) spectroscopy, 13C NMR mass spectrometry, elemental analysis techniques. Compound 3e was found be most active compound when tested against MCF-7 line ( I C 50 = 20.5 μ M ). activity comparable standard doxorubicin other compounds. study spike protein (PDB ID: 6LU7). 3c high ability (−9.4 kcal/mol). inhibition studied hydroxychloroquine as a standard. Results studies revealed higher than abilities potential antiviral drug can treating COVID-19 disease.