Figure 3 | Scientific Reports

Figure 3

From: Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach

Figure 3

(a) The spatial overlap of binding modes for various high affinity binders for RdRp target. The ligands having binding free energies less than \(-\) 9.0 kcal/mol were chosen. As can be seen except the RU85053 and CD564 (shown in red color), the rest of the drugs (shown in green color) target nucleotide binding domain. (b) The spatial overlap of binding modes for various high affinity binders in the interfacial region of spike protein (receptor binding domain) and ACE-2 mammalian receptor. The ligands having binding free energies less than \(-\) 9.7 kcal/mol were chosen.

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