Table 1. Binding energies and dissociation constants (K_d) of S. nigrum phytoconstituents with respect to target protein(s).

		A. Binding energies (kcal/mol) and dissociation constants (Kd) towards selected target protein(s)
S. No	Phytoconstituent name	Vimentin		Gelsolin		Villin		Ezrin		Cofilin-1
		B.E.	Kd	B.E.	Kd	B.E.	Kd	B.E.	Kd	B.E.	Kd
1	Solanidine	−7.59	2.71 µM	−8.08	1.2 µM	−8.63	468.76 nM	−8.43	664.78 nM	–	–
2	Solasodine	−8.18	1.0 µM	−7.52	3.07 µM	−9.51	106.05 nM	−7.25	4.89 µM	–	–
3	Alpha-Solanine	−7.12	5.99 µM	−6.66	13.18 µM	−7.87	1.7 µM	−8.16	1.05 µM	–	–
4	Solasonine	−7.82	1.87 µM	−6.8	10.38 µM	−5.84	52.18 µM	−7.84	1.8 µM	–	–
5	Solamargine	−6.95	8.1 µM	−6.09	34.2 µM	−6.45	18.8 µM	−7.25	4.83 µM	–	–
6	Degalactotigonin	−1.83	45.68 µM	−2.93	7.12 mM	−1.77	50.65 µM	−1.82	46.01 mM	−2.0	33.98 mM
7	Nigrumnin-I	−3.81	1.61 mM	−3.63	2.19 mM	−5.97	42.35 µM	−6.39	20.62 µM	–	–
8	Uttroside B	−1.89	40.84 mM	−2.76	9.51 mM	−3.77	1.72 mM	−2.76	9.5 mM	–	–

Notes.

^–No binding detected.