. 2012 Aug 23;6(3-4):51–59. doi: 10.1007/s11693-012-9096-9

Table 1.

The interaction energy of MCO with aromatic and phenolic compounds obtained through molecular docking

S. No.	Aromatic and phenolic compounds	Binding energy (kcalmol⁻¹)	Docked energy (kcalmol⁻¹)	Inter molecular energy (kcalmol⁻¹)	Torsional energy (kcalmol⁻¹)	Internal energy (kcalmol⁻¹)	RMSD (Ǻ)
1.	Sulfonaphthal	−9.57	−10.1	−10.5	0.93	0.41	34.57
2.	Bisacodyl	−8.31	5.95	−10.49	2.18	16.44	18.62
3.	Thymolphthalein	−11.63	−11.26	−12.86	1.25	1.61	37.05
4.	2,4 Dinitrophenol	6.86	9.13	6.24	0.62	2.9	22.9
5.	Bromophenol blue	−7.87	−10.98	−10.98	3.11	0.0	14.78
6.	Bromocresol green	−6.31	−13.05	−12.85	6.54	0.2	36.98
7.	Phenolphthalein	−9.19	−9.5	−9.81	0.62	0.31	34.55
8.	Pentachlorophenol	−6.23	−7.68	−7.79	1.56	0.11	43.46
9.	Benzo[a]anthracene	−10.29	−10.29	−10.29	0.00	0.00	43.1
10.	Phenol	−5.34	−5.22	−5.34	0.00	0.12	43.23
11.	Hexachlorophene	−8.23	−9.6	−9.79	1.56	0.19	45.12
12.	Salicylic acid	0.08	−0.02	−0.23	0.31	0.21	20.57
13.	Phloretin	−9.43	−9.02	−10.67	1.25	1.66	42.66