Molecular dynamics simulation of effect of terahertz waves on the secondary structure of potassium channel proteins

Abstract

Potassium channels play an important role in repolarizing the nerve cell action potentials. There are many types of potassium channel proteins, and potassium channels allow potassium ions to specifically pass through the cell membrane, thereby maintaining the resting potential of nerve cells. In this paper, molecular dynamics simulation method is used to simulate the effects of 53.7 THz terahertz wave with different amplitudes on the secondary structure of KcsA potassium channel protein and the potassium ions rate. It is found in this study that under the action of the 53.7 THz terahertz wave, the number of alpha helices in KcsA potassium channel protein decreases, and the number of beta sheets and the number of coils increase. In addition, the 53.7 THz terahertz wave can accelerate potassium ions through the KcsA potassium channel. In this article, the effects of terahertz waves on potassium channel proteins are analyzed through the secondary structure of proteins, and a new perspective for the interaction between terahertz waves and biological functional molecules is presented as well.

Effect of Terahertz Electromagnetic Field on the Permeability of Potassium Channel Kv1.2

“…These sites are key to ensuring both high selectivity and high conductance for K + [ 19 ]. So, most studies of the effect of applied electric fields on ion channel permeability have focused on frequencies in the infrared region that can strongly resonate with SF carbonyl groups [ 11 , 12 , 13 , 14 , 15 , 16 , 17 ]. We consider the special bioelectromagnetic effect of terahertz electric fields, as well as the complexity of potassium channel permeability mechanisms.…”

“…Zhang et al demonstrated through molecular dynamics simulation that a 0.1 THz terahertz electric field can increase the channel current of the KcsA ion channel by 4 times [ 16 ]. Sun Kunyuan et al found that under the action of the 53.7 THz terahertz electromagnetic field, the number of α helix in KcsA potassium channel protein decreased, the number of β folding and curling increased, and the permeability of potassium ions increased [ 17 ]. Yize Wang et al found that a 51.87 THz electric field greatly improves KcsA channel permeation [ 18 ].…”

“…The above studies indicate that terahertz electromagnetic fields may interact with the SF of the ion channel [ 11 , 12 , 18 ] or with potassium ions in the channel [ 16 ]. Some studies even show that terahertz electromagnetic fields can change the secondary structure of ion channels [ 17 ]. All the effects change the permeability of ion channels.…”

Structural Insights and Influence of Terahertz Waves in Midinfrared Region on Kv1.2 Channel Selectivity Filter

“…An important object among them is the ion channel due to their vital physiological roles previously mentioned. Many studies have proved that terahertz waves can modulate ion channel structure and function − and have been proposed as an emerging method of neuromodulation and disease treatment. It has been demonstrated by Li et al that a 42.55 THz electric field can resonate with the carboxyl group of the Cav1.2 selectivity filter, lowering the potential barrier for calcium ions to pass through the channel, increasing calcium ion flux, which may be used for synaptic stimulation .…”