In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents
- Authors: ALMERICO, AM; TUTONE, M; GUARCELLO, A; LAURIA, A
- Publication year: 2012
- Type: Articolo in rivista (Articolo in rivista)
- Key words: Anti-parasitic Plasmodium Leishmania Trypanosoma Diazine Induced fit docking/MM-GBSA
- OA Link: http://hdl.handle.net/10447/64913
Abstract
Parasitic diseases caused by protozoarian agents are still relevant today more than ever. Recently, we synthesized several polycondensed diazine derivatives by means 1,3-dipolar cycloaddition reactions. A broad selection of these compounds were submitted to in vitro biological screening against Plasmodium falciparum, Leishmania infantum, Trypanosoma brucei, and Trypanosoma cruzi, resulting active at micromolar level. Induced Fit Docking/MM-GBSA studies were performed giving interesting indications about the probable mechanism of action of the most active compounds