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).