Fig. 4.

Docking of Meclonazepam with modeled structure of SARS-CoV-2 helicase. (A) Cartoon presentation of SARS-CoV-2 helicase with docked ligand. Individual domains including the zinc-binding domain, the stalk, and domains 1A and 2A are colored differently and labeled accordingly. Residues involved in ATP and DNA binding are depicted in yellow and purple sticks, respectively. The ligand is depicted in brown sticks and highlighted in a circle. The β19-β20 loop is colored dark blue. (B) Ligplot derived details of interactions between Meclonazepam and helicase showing H bonds (dotted green lines) and hydrophobic interactions involving most of the β19-β20 loop residues.