Controlled inhibition of kinesin motor proteins is highly desired in the field of oncology. Among
other interventions, the selective Eg5 competitive and allosteric inhibitors is the most successful
targeted chemotherapeutic regime/options, inducing cancer cell apoptosis and tumor regression
with improved safety profile. Though promising, this approach is under clinical trials, for the
discovery of efficient and least harmful Eg5 inhibitors. The aim of present research is to bridge
the computational modelling approach with drug design and therapy of cancer cells. Thus a
computational model, interfaced with the clinical data of “Eg5 dynamics” and “inhibitors” via
special functions is presented in this article. Comparisons are made for the drug efficacy and
the threshold values are predicted through numerical simulations
