The present computational work focused on searching new highly specific antihistamine candidates by H1R-docking. H1R was chosen because is main implication in allergy, anaphylactic shocks and inflammation . Searching for putative antihistamine docking to H1R rather than for allosteric targets was preferred. Histamine excess causes H1R super-activation and signals its associated G proteins to generate most typical allergic symptoms and some other alterations in particular organs. For instance, in the cerebral cortex and heart, histamine excess (and some antihistamines of low specificity) may affect binding not only to H1R but also to potassium channels, increasing neuronal excitation (headaches) or causing heart arrhythmias in particular patients .