In Silico Study of Alkaloids: Neferine and Berbamine Potentially Inhibit the SARS-CoV-2 RNA-Dependent RNA Polymerase

Table 4

Summary of Molecular docking studies of the selected naturally occurring alkaloids with RdRP.

Compounds	In vitro data	S-score	RMSD refine	Interaction	Bond length (Ǻ)	Target site/Virus
Oxysophoridine	EC50 0.018 μM	−3.304	1.312	CYS622	3.17	SARS-CoV-2
	Ref ( [41])
Berbamine	14.50 μM	−2.6064	1.34	ASP618	2.76	SARS-CoV-2
	Ref ( [35])			ASP761	4.37
Neferine	10 μM EC50	−5.083	1.32	ASP760	2.88	SARS-CoV-2
	Ref ( [36])			TYR619	4.34
10′-hydroxyusambarensine	Not reported	−4.66	1.47	ASP761	3.2	SARS-CoV-2
				GLU811	4.25
Strychnopentamine	Not reported	−3.64	1.067	ASP761	SARS-CoV-2	SARS-CoV-2
				ARG555
Remdesivir	Not reported	−5.581	1.57	ASP618	3.14
				ASP760	2.92/3.13
				TYR619	3.26