Electrostatic medium effects upon histamine H2 receptor activation
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1991-03-07Metadata
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Gómez Jeria, Juan
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Electrostatic medium effects upon histamine H2 receptor activation
Abstract
In order to examine environmental effects, the interaction oí histamine (HA) with a model of
the H2 receptor was analyzed using the self-consistent reaction field theory at the CNDO/21evel,
in vacuo, and in the presence oí a polarlzable continuum medium. The main findings reported in
this work are: (a) a concerted proton movement is not possible in vacuo or in the presence oí a
polarlzable medium; (b) the most stable form in all the systems and environments analyzed is the
one in which there is a proton transference from the model site to HA; (c) it seems necessary to
consider other possibilities in the receptor modeling in order to sustain the HA receptor activation
hypothesis.
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This work has reeeived financial support from FONDECYT (Projeet 111188).
Also, some funds from Universidad Austral de Chile (Projeet DIC 8-8823)
and Universidad de Chile (Projeet Q-2442) are gratefully aeknowledged.
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THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, Volume: 82, Issue: 1-2, Pages: 201-209, 1991
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