Study of the Binding Interaction between Wortmannin and Calf Thymus DNA: Multispectroscopic and Molecular Docking Studies

Table 1

The data on DNA and WTN docking obtained from the AutoDock software.

Rank	Run	Lowest binding energy (kcalM^−1)	Mean binding energy (kcalM^−1)	Number of cluster	Ki (μM)	Cluster RMSD	Reference RMSD
1	8	−6.83	−6.61	28	9.84	0.00	30.84
2	63	−6.28	−6.23	29	24.88	0.00	32.52
3	37	−6.20	−6.08	13	28.35	0.00	31.86
4	31	−6.19	−6.04	4	29.09	0.00	29.51
5	23	−6.11	−6.01	12	33.43	0.00	31.40
6	4	−5.99	−5.96	3	40.75	0.00	34.94
7	80	−5.91	−5.86	11	46.82	0.00	31.71