Utilizing Computational Approaches to Study Tubulin-Tubulin Electrostatic Interactions
Microtubules play significant roles in transporting cargos within the cell, as well as the cell cycle. They are essentially the highway for the transportation of cell organelles. Understanding the interactions among microtubule components is crucial for the treatment of neurodegenerative diseases and cancer. In this study, we utilize a series of computational approaches to study the electrostatic interactions at the binding interfaces of interacting tubulin monomers. Our study revealed that the electrostatic attractive interactions in the αβ tubulin dimer is the strongest while the interaction between two αβ tubulin dimers in the longitude direction is the weakest. The result identified the several residues at the binding interfaces as potential drug targets for the inhibition of cancer cells.
Ale, Tolulope A, "Utilizing Computational Approaches to Study Tubulin-Tubulin Electrostatic Interactions" (2021). ETD Collection for University of Texas, El Paso. AAI28861997.