%0 Journal Article
%T In Silico Docking Analysis of Rat ¦Ã-Crystallin Surfaces
%A Alaa El-Din A. Gawad
%J Journal of Computations & Modelling
%D 2012
%I Scienpress Ltd
%X In silico methods are useful for predicting 3D structure of binding sites when experimental information is lack. The complex interaction between ¦Ã-crystallins and small ligands is a key element in understanding the lens transparency. In spite of the high sequence similarity of ¦Ã-crystallins, different numbers of pockets were automatically identified on their molecular surfaces. ¦ÃC-crystallin has the largest binding pocket among rat ¦Ã-crystallin individuals. The binding affinities of five putative chemical ligands against the active sites of ¦Ã-crystallin proteins were determined by Autodock 4.2. Molecular docking indicated multiple binding modes of such ligands into ¦Ã-crystallins pockets.
%K ¦Ã-crystallin
%K family rat
%K binding sites
%K molecular docking
%U http://www.scienpress.com/Upload/JCM/Vol%202_3_3.pdf