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 8 Details of physicochemical parameters evaluated through in silico studies

Sr No	Compounds	GI absorption	BBB Permeant	P-glycoprotein substrate	CYP inhibitors					Log Kp skin permeation (cm/s)
Sr No	Compounds	GI absorption	BBB Permeant	P-glycoprotein substrate	CYP 1A2	CYP 2C19	CYP 2C9	CYP 2D6	CYP 3A4	Log Kp skin permeation (cm/s)
1	(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside	High	No	Yes	No	No	No	Yes	Yes	−8.54
2	(5a,8b,9b)-5,9-Epoxy-3,6-megastigma	High	Yes	No	No	No	No	No	No	−6.25
3	Ixocarpalactone A	High	No	Yes	No	No	No	No	No	−7.88
4	Plumerubroside	Low	No	Yes	No	No	No	No	No	−9.24
5	Isoferulic acid	Low	Yes	No	No	No	No	No	No	−6.41