Year: 2003
Type: article
Abstract: We present here the results of a formal structure-property relationship study \ncarried out for 1 CB - and 2 CB -mediated inhibition of adenylyl cyclase \n(ADC) by a group of classical cannabinoid derivatives. The wave function \nwas calculated with Zerner’s ZINDO/1 method. Several reactivity indices \nwere calculated from the wave function for a molecular skeleton common to \nall the molecules. Multiple regression analysis was employed to find the best \nequation for each case. We found that: (1). the variation of the the \ncannabinoid-mediated inhibition of ADC is related to the variation of a \ndefinite set of molecular reactivity indices, (2). the internal molecular \norbitals are extremely important in regulating the cannabinoid-receptor \ninteraction, and (3). the mechanism for the cannabinoid-mediated inhibition \nof ADC is different for each receptor, involving electrostatic interactions, \nelectron transfer and geometrical substituent effects.
Source: Universidad de Chile
Institution: University of Chile
Language: English
Subfield: Pharmacology (medical)
Field: Medicine
Domain: Health Sciences
Open Access status: green
OpenAlex ID: W1557305764