UPLC–ESI–QTOF–MS profiling, antioxidant, antidiabetic, antibacterial, anti-inflammatory, antiproliferative activities and in silico molecular docking analysis of Barleria strigosa

Chemical and Biological Technologies in Agriculture

Table 9 In silico evaluation of the toxicity profile of the selected compounds

Sr No	Compound	LD50 (mg/kg)	Predicted class	Hepatotoxic	Carcinogenic	Immunotoxic	Mutagenic	Cytotoxic
1	(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien3-one 9-glucoside	4500	4	Inactive	Inactive	Inactive	Inactive	Inactive
2	(5a,8b,9b)-5,9-Epoxy-3,6-megastigma	1190	4	Active	Inactive	Active	Inactive	Inactive
3	Ixocarpalactone A	25	2	Inactive	Inactive	Active	Inactive	Active
4	Plumerubroside	10000	6	Inactive	Inactive	Active	Inactive	Active
5	Isoferulic acid	7900	6	Inactive	Inactive	Active	Inactive	Inactive