Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies

Table 1

Dock scores of 14 inhibitors along with exemestane in the order of their CDOCKER interaction energy. Exemestane showed higher dock score than the other known drugs.

S number	Compound number	-CDOCKER energy (kcal/mol)	-CDOCKER; interaction energy (kcal/mol)
1	22	22.54	55.76
2	30	25.63	55.50
3	28	30.32	55.40
4	8	21.03	55.2
5	42	29.80	54.99
6	74	28.80	54.96
7	16	14.36	54.44
8	27	32.14	53.84
9	34	25.96	53.08
10	9	27.97	51.79
11	37	19.56	50.78
12	7	17.91	50.17
13	12	26.78	49.83
14	29	23.32	49.45
	Exemestane	10.25	48.27