Synthesis, crystal structure, pharmacophore analysis and molecular docking of monoterpene-isatin conjugates as potential SARS-CoV-2 PLpro ligands with in vitro antiviral evaluation
A series of novel conjugates combining monoterpenoid fragments (camphor, fenchone) with an isatin scaffold was designed as potential SARS-CoV-2 PLpro inhibitors. Molecular docking and pharmacophore analysis confirmed their ability to bind to the active site of PLpro. Single crystal of target compound 12 was grown, the...