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. 2022 Mar 16;7(12):10438–10446. doi: 10.1021/acsomega.1c07258

Table 2. In Silico Molecular Docking Based Binding Energy Estimation of Synthesized Bis(indolyl)methane Derivatives with the Motor Domain of Mitotic Kinesin Eg5 and Its Recently Reported Drug-Resistant Point Mutant Variants.

  binding energy (ΔG)
    drug-resistant Eg5 mutants
bis(indolyl)methane derivatives WT Eg5 kinesin (kcal/mol) D130A (kcal/mol) L214A (kcal/mol)
3k –11.2 –11.1 –10.5
3b –11.2 –11.0 –9.7