2006
DOI: 10.1211/jpp.58.9.0010
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Voltage-gated Na+ channel ligands and ATP: relative molecular similarity and implications for channel function

Abstract: The voltage-gated sodium channel (VGNC) is targeted by naturally occurring ligands and drugs of diverse structure. ATP modulates VGNC current in-vitro but is given little prominence in models describing channel function. This computational study uses superimposition and molecular fitting to investigate relative molecular similarity within the structures of ATP and VGNC ligands. A motif of 3 linked atoms (C-N-C) in the adenine ring of ATP satisfies the fitting of a wide range of anticonvulsant structures. An al… Show more

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