Pentameric ligand gated ion channels (pLGICs) are targets of general anesthetics. We have performed a series of molecular dynamics simulations on several pLGICs (GLIC, a4�2 nAChR, and a7 nAChR) in the presence and absence of the general anesthetics halothane, isoflurane, and propofol. Each pLGIC has multiple anesthetic binding sites. The impact of anesthetic binding to the protein structure and dynamics varies among different types of pLGICs. The five-fold symmetry of anesthetic binding sites has been presented in crystal structures of pLGICs. The symmetry status in molecular dynamics simulations affects the channel behavior. These computational findings are well supported by experimental data. Altogether, our studies provide the basis for understanding the underlying mechanism of anesthetic action on pLGICs. This research was supported by grants from the National Institutes of Health (R01GM066358, R01GM056257, and R37GM049202, and T32GM075770) and by the National Science Foundation through XSEDE resources.

Anesthetic action on pentameric ligand gated ion channels

243rd National Meeting (2012)

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