Cancer drug therapy and stochastic modeling of “nano-motors”

Abstract

Lubna Sherin,1 Shabieh Farwa,2 Ayesha Sohail,3 Zhiwu Li,4,5 O Anwar Bég6 1Department of Chemistry, COMSATS University Islamabad, Lahore 54000, Pakistan; 2Department of Mathematics, COMSATS University Islamabad, Wah Cantt, Pakistan; 3Department of Mathematics, COMSATS University Islamabad, Lahore 54000, Pakistan; 4Institute of Systems Engineering, Macau University of Science and Technology, Taipa, Macau; 5School of Electro-Mechanical Engineering, Xidian University, Xi’an 710071, China; 6Fluid Mechanics, Spray Research Group, Mechanical and Petroleum Engineering, School of Computing, Science and Engineering, G77, University of Salford, Manchester M54WT, UK Background: Controlled inhibition of kinesin motor proteins is highly desired in the field of oncology. Among other interventions, there exists “targeted chemotherapeutic regime/options” of selective Eg5 competitive and allosteric inhibitors, inducing cancer cell apoptosis and tumor regression with improved safety profiles. Research question: Though promising, such studies are still under clinical trials, for the discovery of efficient and least harmful Eg5 inhibitors. The aim of this research was to bridge the computational modeling approach with drug design and therapy of cancer cells. Methods: 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. Results: Results are obtained to depict the dynamics induced by ispinesib, when used as an inhibitor of kinesin Eg5, on cancer cell lines. Keywords: drug efficient model, bipolar spindle, Eg5, cancer, mitotic arrest, Eg5 inhibitors

Keywords

• drug efficient model
• bipolar spindle
• Eg5
• cancer
• mitotic arrest
• Eg5 inhibitors