Synthesis, DFT Analysis, and Evaluation of Antibacterial and Antioxidant Activities of Sulfathiazole Derivatives Combined with In Silico Molecular Docking and ADMET Predictions

Table 7

Toxicity prediction of compounds, computed by ProTox-II and OSIRIS property explorer.

S. no.	Ligands	LD50 (mg/kg)	Toxicity class	Organ toxicity
				Hepatotoxicity	Carcinogenicity	Immunotoxicity	Mutagenicity	Cytotoxicity	Irritant
7	C9H7N3O2S	300	3	Active	Active	Inactive	Active	Inactive	No
11a	C16H13N3O4S2	4500	5	Active	Active	Inactive	Inactive	Inactive	No
11b	C15H11N3O4S2	4500	5	Active	Active	Inactive	Inactive	Inactive	No
	Sulfathiazole (C9H9N3O2S2)	4500	5	Active	Active	Inactive	Inactive	Inactive	No
	Ascorbic acid (C6H8O6)	3367	5	Inactive	Inactive	Inactive	Inactive	Inactive	No