Modulation of TRPV6 Ion Channel by Terahertz Fields: A Molecular Simulation Study
摘要
TRPV6 is a calcium-selective transient receptor potential channel that plays a pivotal role in cellular calcium uptake and homeostasis. Understanding the regulatory mechanisms of TRPV6 is essential for developing effective therapeutic strategies for calcium-related disorders. In this study, we employed all-atom molecular dynamics simulations to investigate the trans-membrane transport of calcium ions through the TRPV6 channel. Analysis of the vibrational properties of key selectivity filter residues revealed resonant frequencies at 42.93 THz, 49.23 THz, and 51.77 THz. The impact of terahertz fields at these frequencies on calcium permeation was then examined. The results reveal that terahertz electric fields can significantly modulate TRPV6 channel behavior in a frequency-dependent manner, implying a resonant interaction between the applied field and the channel. This frequency specificity also suggests that carefully optimized external field parameters may enable precise and selective control over ion channel function. This work provides new insights into the regulation mechanism of TRPV6 and offers theoretical support for the potential application of terahertz fields in the treatment of TRP channel-related diseases.