understanding the selectivity mechanism of the human asialoglycoprotein receptor (asgp-r) toward gal- and man- type ligands for predicting interactions with exogenous sugars理解人类asialoglycoprotein受体的选择性机制(asgp-r)向加-和人型配体预测与外源性糖的交互.pdfVIP

understanding the selectivity mechanism of the human asialoglycoprotein receptor (asgp-r) toward gal- and man- type ligands for predicting interactions with exogenous sugars理解人类asialoglycoprotein受体的选择性机制(asgp-r)向加-和人型配体预测与外源性糖的交互.pdf

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understanding the selectivity mechanism of the human asialoglycoprotein receptor (asgp-r) toward gal- and man- type ligands for predicting interactions with exogenous sugars理解人类asialoglycoprotein受体的选择性机制(asgp-r)向加-和人型配体预测与外源性糖的交互

Int. J. Mol. Sci. 2007, 8, 13-28 International Journal of Molecular Sciences ISSN 1422-0067 © 2007 by MDPI /ijms/ Understanding the Selectivity Mechanism of the Human Asialoglycoprotein Receptor (ASGP-R) toward Gal- and Man- type Ligands for Predicting Interactions with Exogenous Sugars Ilaria Massarelli 1, Laura Murgia 1, Anna Maria Bianucci 2, Federica Chiellini 1 and Emo Chiellini 1,* 1 Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa, Italy. E-mail: ilaria@dcci.unipi.it; lauram@dcci.unipi.it; federica@dcci.unipi.it; emochie@dcci.unipi.it 2 Dipartimento di Scienze Farmaceutiche, Università di Pisa, Via Bonanno 6, 56126 Pisa, Italy. E-mail: bianucci@farm.unipi.it * Author to whom correspondence should be addressed. E-Mail: emochie@dcci.unipi.it Received: 2 August 2006, in revised form: 10 November 2006 / Accepted: 14 December 2006 / Published: 29 January 2007 Abstract: A practical approach for addressing the computer simulation of protein- carbohydrate interactions is described here. An articulated computational protocol was set up and validated by checking its ability to predict experimental data, available in the literature, and concerning the selectivity shown by the Carbohydrate Recognition Domain (CRD) of the human asialoglycoprotein receptor (ASGP-R) toward Gal-type ligands. Some

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