Molecular dynamics simulation: a new direction targeting physiological mechanisms of neuronal calcium sensor-1 protein / 中国组织工程研究

ABSTRACT

BACKGROUND: Physiological functions, structural fold and unfolding of neuronal calcium sensor-1 (NCS-1) have been explored in a series of experiments, and then the possible mechanism models and key factors for remaining the structural stability are raised. But many functional models cannot be verified due to the limitations of resolution of the time and space and complex protein structure. The experimental phenomena and hypothesis or models may be tested at the atom levels by molecular dynamics, and the new structure may be predicted to provide basis for model establishment and functional mechanisms. OBJECTIVE: To overview the research process of physiological functions and mechanisms of NCS-1 using the experimental method and molecular dynamics simulations, thereby providing basis for future research.METHODS: PubMed database was retrieved for the literatures addressing NCS-1 using the English subject term Neuronal Calcium Sensor-1 or Neuronal Calcium Sensor1 or Neuronal Calcium Sensor 1 or NCS-1. Finally, 72 articles were included in result analysis based on the inclusion and exclusion criteria. RESULTS AND CONCLUSION: The theoretical models of NCS-1 in secretion regulation, dopamine D2 receptor regulation, adenosine A2A receptor regulation in hepatocytes and Ca2+ regulation in myocardial cytoplasm and nuclei with different stimuli are put forward. The key factors to remaining structural stability are analyzed and summarized by modular dynamics simulation in view of structure. It is recommended to combine these two methods in order to deeply understand the protein functional mechanisms, thereby pushing the in-depth study.