Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface

Namsrai Javkhlantugs,1,2 Hexig Bayar,3 Chimed Ganzorig,1 Kazuyoshi Ueda2 1Center for Nanoscience and Nanotechnology and Department of Chemical Technology, School of Chemistry and Chemical Engineering, National University of Mongolia, Ulaanbaatar, Mongolia; 2Department of Advanced Materials Chemistry...

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Autores principales:	Javkhlantugs N, Bayar H, Ganzorig C, Ueda K
Formato:	article
Lenguaje:	EN
Publicado:	Dove Medical Press 2013
Materias:	Medicine (General) R5-920
Acceso en línea:	https://doaj.org/article/564b9927c3724ae484056a78e6f59b93
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spelling	oai:doaj.org-article:564b9927c3724ae484056a78e6f59b932021-12-02T02:41:36ZComputational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface1176-91141178-2013https://doaj.org/article/564b9927c3724ae484056a78e6f59b932013-07-01T00:00:00Zhttp://www.dovepress.com/computational-study-on-the-interactions-and-orientation-of-monoclonal--a13656https://doaj.org/toc/1176-9114https://doaj.org/toc/1178-2013Namsrai Javkhlantugs,1,2 Hexig Bayar,3 Chimed Ganzorig,1 Kazuyoshi Ueda2 1Center for Nanoscience and Nanotechnology and Department of Chemical Technology, School of Chemistry and Chemical Engineering, National University of Mongolia, Ulaanbaatar, Mongolia; 2Department of Advanced Materials Chemistry, Graduate School of Engineering, Yokohama National University, Yokohama, Japan; 3The Key Laboratory of Mammalian Reproductive Biology and Biotechnology of the Ministry of Education, Inner Mongolia University, Hohhot, Inner Mongolia Autonomous Region, People's Republic of China Abstract: Having a theoretical understanding of the orientation of immunoglobulin on an immobilized solid surface is important in biomedical pathogen-detecting systems and cellular analysis. Despite the stable adsorption of immunoglobulin on a polystyrene (PS) surface that has been applied in many kinds of immunoassays, there are many uncertainties in antibody-based clinical and biological experimental methods. To understand the binding mechanism and physicochemical interactions between immunoglobulin and the PS surface at the atomic level, we investigated the binding behavior and interactions of the monoclonal immunoglobulin G (IgG) on the PS surface using the computational method. In our docking simulation with the different arrangement of translational and rotational orientation of IgG onto the PS surface, three typical orientation patterns of the immunoglobulin G on the PS surface were found. We precisely analyzed these orientation patterns and clarified how the immunoglobulin G interacts with the PS surface at atomic scale in the beginning of the adsorption process. Major driving forces for the adsorption of IgG onto the PS surface come from serine (Ser), aspartic acid (Asp), and glutamic acid (Glu) residues. Keywords: bionano interface, immunoassay, polystyrene, IgG, physical adsorption, simulationJavkhlantugs NBayar HGanzorig CUeda KDove Medical PressarticleMedicine (General)R5-920ENInternational Journal of Nanomedicine, Vol 2013, Iss default, Pp 2487-2496 (2013)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine (General) R5-920
spellingShingle	Medicine (General) R5-920 Javkhlantugs N Bayar H Ganzorig C Ueda K Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface
description	Namsrai Javkhlantugs,1,2 Hexig Bayar,3 Chimed Ganzorig,1 Kazuyoshi Ueda2 1Center for Nanoscience and Nanotechnology and Department of Chemical Technology, School of Chemistry and Chemical Engineering, National University of Mongolia, Ulaanbaatar, Mongolia; 2Department of Advanced Materials Chemistry, Graduate School of Engineering, Yokohama National University, Yokohama, Japan; 3The Key Laboratory of Mammalian Reproductive Biology and Biotechnology of the Ministry of Education, Inner Mongolia University, Hohhot, Inner Mongolia Autonomous Region, People's Republic of China Abstract: Having a theoretical understanding of the orientation of immunoglobulin on an immobilized solid surface is important in biomedical pathogen-detecting systems and cellular analysis. Despite the stable adsorption of immunoglobulin on a polystyrene (PS) surface that has been applied in many kinds of immunoassays, there are many uncertainties in antibody-based clinical and biological experimental methods. To understand the binding mechanism and physicochemical interactions between immunoglobulin and the PS surface at the atomic level, we investigated the binding behavior and interactions of the monoclonal immunoglobulin G (IgG) on the PS surface using the computational method. In our docking simulation with the different arrangement of translational and rotational orientation of IgG onto the PS surface, three typical orientation patterns of the immunoglobulin G on the PS surface were found. We precisely analyzed these orientation patterns and clarified how the immunoglobulin G interacts with the PS surface at atomic scale in the beginning of the adsorption process. Major driving forces for the adsorption of IgG onto the PS surface come from serine (Ser), aspartic acid (Asp), and glutamic acid (Glu) residues. Keywords: bionano interface, immunoassay, polystyrene, IgG, physical adsorption, simulation
format	article
author	Javkhlantugs N Bayar H Ganzorig C Ueda K
author_facet	Javkhlantugs N Bayar H Ganzorig C Ueda K
author_sort	Javkhlantugs N
title	Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface
title_short	Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface
title_full	Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface
title_fullStr	Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface
title_full_unstemmed	Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface
title_sort	computational study on the interactions and orientation of monoclonal human immunoglobulin g on a polystyrene surface
publisher	Dove Medical Press
publishDate	2013
url	https://doaj.org/article/564b9927c3724ae484056a78e6f59b93
work_keys_str_mv	AT javkhlantugsn computationalstudyontheinteractionsandorientationofmonoclonalhumanimmunoglobulingonapolystyrenesurface AT bayarh computationalstudyontheinteractionsandorientationofmonoclonalhumanimmunoglobulingonapolystyrenesurface AT ganzorigc computationalstudyontheinteractionsandorientationofmonoclonalhumanimmunoglobulingonapolystyrenesurface AT uedak computationalstudyontheinteractionsandorientationofmonoclonalhumanimmunoglobulingonapolystyrenesurface
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Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface

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