Journal of Computational Medicine

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 SANALA DMCDMPSDMSA
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