. 2021 Sep 30;11(51):32346–32357. doi: 10.1039/d1ra05927k

List of molecular docking results of identified compounds from 1–8 with main protease receptor (values are expressed in kcal mol⁻¹).

No.	S ^a kcal mol⁻¹	RMSD_refine^b
1	−17.9664	1.49
2	−18.6652	1.44
3	−16.6877	1.33
4	−9.54093	0.91
5	−12.7774	1.45
6	−10.5906	0.93
7	−13.8128	1.21
8	−9.62281	0.75
Remdesivir	−10.0932	1.57

S: the score of a compound placement inside the protein binding pocket.

RMSD_refine: the root-mean-squared-deviation (RMSD) between the predicted pose and those of the crystal one (after and before refinement process, respectively).

List of molecular docking results of identified compounds from 1–8 with main protease receptor (values are expressed in kcal mol−1).

List of molecular docking results of identified compounds from 1–8 with main protease receptor (values are expressed in kcal mol⁻¹).