A formal quantum-chemical analysis of the relationships between molecular-electronic structure and the inhibition, by 1H-1,2,3-triazole-4-carboxamide derivatives, of cytophatic effects produced by the influenza A/WSN/33 (H1N1) and A/HK/8/68 (H3N2) strains in MDCK cells was carried out. The results suggest that the molecules bind to the nucleoprotein of both viral strains through the same mechanism. The mechanism has a very high orbital control as expected in highly complex recognition and binding processes. A short discussion about the existence of molecular orbitals is also presented.
