System Pharmacological Approach to Investigate and Validate Multitargeted and Therapeutic Effect of Furocoumarins of Apium graveolens L. for Treatment of Kidney Disease

Table 2

In silico docking analysis of furocoumarins with CASP-3 and SOD.

Compounds name	Detail of proteins
	CASP-3			SOD
	Grid box dimension	Binding energy (kcal/mol)	Conventional hydrogen bonding	Grid box dimension	Binding energy (kcal/mol)	Conventional hydrogen bonding
Angelicin	Center_x = 33.637	−6.5	LYS C: 137	Center_x = 62.954	−6.8	THR E: 137
Bergapten	Center_y = 43.345	−6.3	LYS C: 137, THR C: 140 and TYR D: 195	Center_y = 69.971	−5.5	LYS F: 3, THR F: 3 and ARG E: 115
Imperatorin	Center_z = 33.827	−7.2	TYR D: 197 and ARG C: 164	Center_z = 33.827	−6.2	ASN E: 53
Pimpinellin	Size_x = 58	−6.4	LYS A: 137, TYR B: 195 and ARG A: 164	Size_x = 60	−5.6	ARG E: 143
Psoralen	Size_y = 58	−6.2	Not found	Size_y = 60	−5.4	Not found
Sphondin	Size_z = 58	−6.5	TYR B: 197 and TYR D: 195	Size_z = 60	−5.7	SER E: 98