The effects of external electric fields of 900 MHz and 2450 MHz frequencies onαβ-tubulin dimer stabilized by paclitaxel: Molecular dynamics approach

Abstract

Using molecular dynamics simulation method, the effects of external electric fields of 900[Formula: see text]MHz and 2450 frequencies on [Formula: see text]-tubulin dimer stabilized by paclitaxel, have been modeled. Due to this purpose, two systems, (A) [Formula: see text]-tubulin dimer and (B) [Formula: see text]-tubulin dimer stabilized by paclitaxel, were exposed to an external electric field of 0.01[Formula: see text]V/nm with frequency values of 900[Formula: see text]MHz and 2450[Formula: see text]MHz. It was found that application of these fields, which are in the range of cell phone and microwave frequencies, increased the flexibility of each system. Since paclitaxel, as chemotherapy drug, is used to increase the rigidity of dimer, application of such fields may disturb the effect of paclitaxel on the dimer. Consequently, negative side effects on the chemotherapy process may be observed.

Cytoskeletal Disruption after Electroporation and Its Significance to Pulsed Electric Field Therapies

“…Electric fields have also been shown to disrupt MT polymerization, which is exploited as the mechanism of action of tumor treating fields (TTFields) that use low-magnitude (<2.5 V/cm) fields applied at 100−300 kHz [122]. Molecular dynamics simulations also indicate that electric fields of GHz frequencies can disrupt tubulin and tubulin associated proteins [123][124][125]. Adding to the existing literature on MT dynamics under electric fields, recent molecular dynamics studies and experimental studies now demonstrate that PEFs can directly disrupt MTs.…”

Electro-opening of a microtubule lattice in silico

“…Most of the investigations have been performed in silico [22] , where they explored either membrane [23] or protein systems. The effect of the electric field was mostly on the secondary structure, conformation, and orientation of various proteins [24] , [25] , [26] , [27] , [28] , [29] , [30] , [31] , [32] , [33] , [34] , [35] , [36] , [37] , [38] , [39] , [40] , [41] , [42] , including cytoskeletal system proteins such as tubulin [43] , [44] , [45] , [46] , [47] and kinesin [48] , even leading to the unfolding of some proteins [49] , [50] , [51] . Most of this work explored electric field effects either in a single protein or membrane-bound proteins systems.…”

Tubulin response to intense nanosecond-scale electric field in molecular dynamics simulation

“…Microtubules, due to their expected special electric 40 and vibrational 41–44 properties, were proposed to be involved in endogenous electrodynamic processes in cells 45–47 . However, all-atom molecular simulations of external EF effect on tubulin have been carried out only recently 48,49 . They specifically investigated the EF effects on protein mechanics but did not include the C-terminal tail.…”