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

Table 2

The pkCSM analysis of oxysophorodine, berbamine, neferine, 10′-hydroxyusambarensine, strychnopentamine, and remdesivir (standard ligand) showing excretion and toxicity profiles.

Alkaloids	Oxysophoridine	Berbamine	Neferine	10′-Hydroxyusambarensine	Strychnopentamine	Remdesivir
Total clearance (log mL/min/kg)	1.066	0.724	1.007	1.109	0.947	0.198
Renal OCT substrate	NO	NO	YES	YES	NO	NO
AMES toxicity	NO	YES	NO	YES	NO	NO
Oral rat toxicity (LD50(mg/kg))	2.653	2.494	2.304	2.363	2.148	2.043
Hepatotoxicity	NO	NO	NO	YES	YES	YES
Toxicity class	4	4	4	4	4	4