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| بین المللی علوم (منتشر نمی شود) | ||
| مقاله 5، دوره 4، شماره 0 - شماره پیاپی 1464، مهر 1382 اصل مقاله (245.25 K) | ||
| نویسندگان | ||
| Juan S. G?mez-Jeria؛ Francisco Soto-Morales؛ Gipsy Larenas-Gutierrez* | ||
| عنوان مقاله [English] | ||
| - | ||
| چکیده [English] | ||
| We present here the results of a formal structure-property relationship study carried out for - and -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. | ||
| کلیدواژهها [English] | ||
| adenylyl cyclase inhibition, Cannabinoids, CB1 receptor, CB2 receptor, Structure-activity relationships, ZINDO/1 | ||
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