A Zindo/1 Study of the Cannabinoid-Mediated Inhibition of Adenylyl Cyclase
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2003-09-06Metadata
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Gómez Jeria, Juan
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A Zindo/1 Study of the Cannabinoid-Mediated Inhibition of Adenylyl Cyclase
Abstract
We present here the results of a formal structure-property relationship study
carried out for 1 CB - and 2 CB -mediated inhibition of adenylyl cyclase
(ADC) by a group of classical cannabinoid derivatives. The wave function
was calculated with Zerner’s ZINDO/1 method. Several reactivity indices
were calculated from the wave function for a molecular skeleton common to
all the molecules. Multiple regression analysis was employed to find the best
equation for each case. We found that: (1). the variation of the the
cannabinoid-mediated inhibition of ADC is related to the variation of a
definite set of molecular reactivity indices, (2). the internal molecular
orbitals are extremely important in regulating the cannabinoid-receptor
interaction, and (3). the mechanism for the cannabinoid-mediated inhibition
of ADC is different for each receptor, involving electrostatic interactions,
electron transfer and geometrical substituent effects.
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Iranian Int. J. Sci. 4(2), p. 151-164, 2003.
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