Table 5.

Estimated Free Energy of Binding, H-Bond Interactions and Hydrophobic Interactions between compounds and receptors.

Targets	Compounds	Pubchem ID	Binding Affinity	Hydrophobic Interactions	Hydrogen bonding
AR	Ajoene	5386591	−4.2	PRO694,ASN727,PHE826	GLN693,ASP695
	Allixin	86,374	−6.3	LEU704,LEU707,MET749,PHE764,LEU873	GLY708
	Catechin	9064	−8.5	LEU701,MET745,PHE764,LEU873	LEU707,LEU873,THR877
	Luteolin	5,280,445	−8.3	VAL684,VAL715,ARG752	PRO682,GLN711,TRP751,LYS808
	Nigellicine	11,402,337	−7.6	MET745,VAL746,MET749,PHE764,LEU873	ASN705,GLY708
	Nigellidine	136,828,302	−7.5	ALA748,ARG752,LEU805	TRP751,ARG752,ASN756
	Nigellimine	20,725	−5.5	GLU706, ASP890	ASP690, GLU706
	Quercetin	5,280,343	−9	MET745	LEU704,GLY708,GLN711,MET745,ARG752,LEU873
	Thymoquinone	10,281	−6.3	LEU704,LEU707,VAL746,PHE764,LEU873	PHE764
	Doxorubicin	31,703	−7.1	LEU881,ILE882,PHE891,ALA896	HIS885, PHE891
PIK3R1	Ajoene	5386591	−4.7	ILE800,TYR836,ILE848,ILE932,	VAL851, SER854
	Allixin	86,374	−6	LEU704,LEU707,MET749,PHE764,LEU873	GLY708
	Catechin	9064	−8.5	LEU701,MET745,PHE764,LEU873	LEU707,LEU873,THR877
	Luteolin	5,280,445	−8.5	VAL684,VAL715,ARG752	PRO682,GLN711,TRP751,LYS808
	Nigellicine	11,402,337	−7.4	MET745,VAL746,MET749,PHE764,LEU873	ASN705,GLY708
	Nigellidine	136,828,302	−8.1	ALA748,ARG752,LEU805	TRP751,ARG752,ASN756
	Nigellimine	20,725	−6.5	GLU706,ASP890	ASP690, GLU706
	Quercetin	5,280,343	−8.4	MET745	LEU704,GLY708,GLN711,MET745,ARG752
	Thymoquinone	10,281	−6.2	LEU704,LEU707,VAL746,PHE764,LEU873	PHE764
	Doxorubicin	31,703	−9.5	TRP780,ILE800,ILE848,VAL850,ASN920,ILE932,ASP933	SER774,GLU849,VAL851,GLN859,ASP933