Table 1.

Docking properties of the complexes formed.

Ligand	Receptor	Interaction	Distance	E (kcal/mol)	Binding affinties (kcal/mol)
1ji4/control					−4.3
O4 17	OE1 GLU 46	H-donor	2.56	−0.1
O2 10	OH TYR 99	H-acceptor	2.90	−1.9
O2 10	OG SER 135	H-acceptor	2.89	−1.4
1ji4/10,207 (Aloe emodin)					−6.4
O5 25	OE1 GLN 128	H-donor	2.75	−1.3
O2 1	CA ILE 43	H-acceptor	3.38	−0.8
1ji4/10,208 (Chrysophanic acid)					−6.4
O3 2	OG SER 135	H-acceptor	2.75	−2.0
1ji4/160,190 (Aloesin)					−7.4
O8 2	SD MET 138	H-donor	3.75	−0.4
O6 32	OE1 GLN 128	H-donor	2.59	−2.3
O3 36	O ILE 43	H-donor	2.71	−2.6
O8 2	NZ LYS 134	H-acceptor	2.77	−6.9
O9 46	OG SER 135	H-acceptor	2.66	−1.9
1ji4/5,281,416 (Esculetin)					−6.3
O2 16	OE1 GLN 128	H-donor	2.65	−1.4
O3 18	SD MET 50	H-donor	3.66	−2.3
O4 2	OH TYR 99	H-acceptor	3.07	−0.8
O4 2	OG SER 135	H-acceptor	2.73	−1.4