Research Article
In Silico Screening of Synthetic and Natural Compounds to Inhibit the Binding Capacity of Heavy Metal Compounds against EGFR Protein of Lung Cancer
Table 4
Molecular docking results of heavy metals’ compounds with EGFR protein.
| S. # | MC | SV | RMSD | E-conf. |
| 1 | Tinidazole | -20.42 | 1.455 | 41.16 | 2 | Thallium, bromodimethyl | -7.865 | 1.467 | -18.09 | 3 | Silver acetate | -7.748 | 2.361 | -42.74 | 4 | Mercuric cyanide | -6.323 | 3.830 | -291.7 | 5 | Arsenate | -5.700 | 1.149 | -154.4 | 6 | Tellurium hexafluoride | -5.396 | 0.570 | -1139 | 7 | Lead sulfide | -4.744 | 1.157 | -71.08 | 8 | Antimony trichloride | -4.256 | 1.131 | -17.03 | 9 | Vanadium tetrachloride | -4.209 | 1.266 | -83.48 | 10 | Chromium iodide | -4.109 | 1.414 | -34.01 | 11 | Bismuth trichloride | -3.693 | 0.563 | -15.09 | 12 | Platinum tetrachloride | -3.462 | 1.341 | -36.47 | 13 | Gold bromide | -3.339 | 1.369 | -3.975 | 14 | Manganese dioxide | -3.156 | 1.715 | -120.8 | 15 | Ferric chloride | -2.972 | 2.541 | -23.12 | 16 | Nickel chloride | -2.971 | 1.105 | -39.53 | 17 | Uranium trioxide | -2.951 | 0.733 | -253.5 | 18 | Cerium disulfide | -2.758 | 4.094 | -61.50 | 19 | Cobalt (II) bromide | -2.708 | 1.443 | -64.85 | 20 | Zinc diflouride | -2.007 | 1.256 | -11.85 | 21 | Gallium iodide | -1.951 | 0.935 | -26.38 | 22 | Cupric chloride | -1.825 | 2.994 | -12.83 | 23 | Cadmium bromide | -1.582 | 1.133 | -11.94 |
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MC: metal compounds; SV: scoring values (kcal/mol); RMSD values: root means square deviation (Å); E-conf: expected confirmation.
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