Zinc thiotropolone combinations as inhibitors of the SARS-CoV-2 main protease.

Numerous organic molecules are known to inhibit the main protease of SARS-CoV-2, (SC2M), a key component in viral replication of the 2019 novel coronavirus. We explore the hypothesis that zinc ions, , bind to the SC2M enzyme in combination with lipophilic tropolone and thiotropolone ligands, , block substrate docking, and inhibit function. This study combines synthetic inorganic chemistry, protease activity assays, and computational modeling.