Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel

Significance Voltage-gated sodium (Na ᵥ) channels control neuronal signaling and are key targets for local anesthetics, antiepileptics, and therapeutics for a range of disorders. Multimicrosecond Anton simulations have provided completely unbiased molecular-level views of the interactions of lipophi...

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Veröffentlicht in:	Proceedings of the National Academy of Sciences - PNAS 2014-09, Vol.111 (36), p.13057-13062
Hauptverfasser:	Boiteux, Céline, Vorobyov, Igor, French, Robert J., French, Christopher, Yarov-Yarovoy, Vladimir, Allen, Toby W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Sequence Anesthesia Anesthetics, Local - chemistry Anesthetics, Local - metabolism Antibacterials Anticonvulsants Anticonvulsants - chemistry Anticonvulsants - metabolism aqueous solutions Arcobacter - metabolism Arcobacter butzleri Bacteria benzocaine Benzocaine - chemistry Benzocaine - metabolism Binding Sites Biological Sciences Computer Simulation crossing Drug interactions energy Eukaryotes Force field Free energy Local anesthetics Membranes, Artificial Models, Molecular Molecular Sequence Data Molecules partition coefficients Pathology Pharmacology phenytoin Phenytoin - chemistry Phenytoin - metabolism Prescription drugs Protein Structure, Secondary Protein Subunits - chemistry Protein Subunits - metabolism Sequence Alignment Sodium Sodium channels therapeutics Thermodynamics Voltage-Gated Sodium Channels - chemistry Voltage-Gated Sodium Channels - metabolism
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