3.1.2 Prediction of Active Site
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Figure 2. Protein Active Site
The result from the analysis of the active site( supported by zhanglab software) shows that the active site of P. falciparum Tubulin β-chain protein is Alanin 206. It will be inhibited if it makes a bond with Allicin.
3.1.3 Result of The Bonds between Plasmodium falciparum Tubulin β-chain Protein and Allicin
Table 2. Binding Affinity among Allicin and Tubulin β-chain protein
The binding affinity among Allicin and Tubulin β-chain protein is-3.7 kcal / mol as the highest score and the lowest one is-3.3 Kcal / mol. The stronger the binding affinity, shows more negative score.