IMIBIO-SL   20937
INSTITUTO MULTIDISCIPLINARIO DE INVESTIGACIONES BIOLOGICAS DE SAN LUIS
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Halogen Bonds in biological context
Autor/es:
M.A. LUCHI; E.L. ANGELINA; S.A. ANDUJAR; R.D. ENRIZ; N.M. PERUCHENA
Reunión:
Congreso; 13a Conferencia Latinoamericana de Físico-Química Orgánica. 13th Latin American Conference on Physical Organic Chemistry; 2015
Resumen:
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).