Based on the finding that a central antihypertensive agent with high affinity for I1-type imidazoline receptors – rilmenidine, shows cytotoxic effects on cultured cancer cell lines, it has been suggested that imidazoline receptors agonists might have a therapeutic potential in the cancer therapy. Nevertheless, potential rilmenidine side effects caused by activation of α-adrenoceptors, or other associated receptors and enzymes, might hinder its therapeutic benefits. Considering that human α-adrenoceptors belong to the rhodopsin-like class A of G-protein-coupled receptors (GPCRs) it is reasonable to assume that imidazolines might have the affinity for other receptors from the same class. Therefore, to investigate possible off-target effects of imidazoline ligands we have prepared a reverse docking protocol on class A GPCRs, using imidazoline ligands and their decoys. To verify our in silico results, three ligands with high scores and three ligands with low scores were tested for antagonistic activity on α2- adrenoceptors.
Deciphering Imidazoline Off-targets by Fishing in the Class A of GPCR field / Djikic, T.; Vucicevic, J.; Laurila, J.; Radi, M.; Veljkovic, N.; Xhaard, H.; Nikolic, K.. - In: MOLECULAR INFORMATICS. - ISSN 1868-1743. - 39:7(2020), p. e1900165. [10.1002/minf.201900165]
|Appare nelle tipologie:||1.1 Articolo su rivista|