Research Article
Molecular Docking Assessment of Efficacy of Different Clinically Used Arsenic Chelator Drugs
Table 4
Minimum Gibbs’ free energy (
) in Kcal/mol.
| Receptor/protein | Drug | ATO | SAN | ALA | DMC | DMPS | DMSA |
| TDR | −1.42 | −1.81 | −3.97 | −2.99 | −4.23 | −4.93 | Collagen | −0.91 | −1.37 | −4.09 | −2.21 | −3.14 | −4.27 | GTR | −1.48 | −2.11 | −4.61 | −3.29 | −4.87 | −5.88 | Actin | −1.66 | −2.19 (Figure 2) | −5.33 | −2.67 | −4.94 | −5.12 | ER-Alpha | −1.61 | −2.23 (Figure 2) | −6.01 | −3.00 | −4.28 | −6.42 | PDH | −1.35 | −2.17 | −4.92 (Figure 3) | −3.53 | −4.85 | −5.88 | Albumin | −1.94 (Figure 1) | −1.99 | −5.68 (Figure 3) | −3.02 | −4.95 | −5.85 | Tubulin | −1.73 | −2.08 | −5.55 | −3.06 | −5.82 (Figure 4) | −5.90 (Figure 4) | Keap1 | −1.84 | −2.22 | −7.03 | −3.15 | −5.12 | −8.55 | KLK−7 | −1.91 (Figure 1) | −1.88 | −6.37 | −3.48 | −6.17 | −7.25 | LDH | −1.48 | −1.9 | −6.67 | −3.23 | −4.32 | −8.30 | Spermine | −0.26 | −0.36 | −6.68 | −0.89 | −0.27 | −8.95 | Spermidine | −0.26 | −0.34 | −6.74 | −0.98 | −0.26 | −9.92 |
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