Halogen Bonds in biological context

M.A. LUCHI; E.L. ANGELINA; S.A. ANDUJAR; R.D. ENRIZ; N.M. PERUCHENA

Congreso; 13a Conferencia Latinoamericana de Físico-Química Orgánica. 13th Latin American Conference on Physical Organic Chemistry; 2015

In this work, Halogen Bond (XB) interactions formed by halogenated ligands (LX, with X = Cl, Br, I)at the Dopamine Receptor D2 (DRD2) binding pocket, were studied by Molecular Dynamics (MD)Docking and charge density analysis. The strength and nature of these XBs were contrasted withthe Hydrogen Bond (HB) interactions established by non-halogenated analogs (LOH and LH, whereX was replaced by OH and H, respectively).