2.6 In silico Toxicity estimation
Ligands (2-DG and 2-DG derivative) and standard chemotherapeutic agents
(lopinavir, favipiravir, and hydroxychloroquine) were uploaded in the
Toxicity Estimation Software Tool in sdf format. Oral rat
LD50, Bioconcentration Factor, Developmental Toxicity
and Ames Mutagenicity were estimated using consensus method of QSAR
analysis (Barron et al., 2012).