Theoretical Calculation of Antigen-Antibody Interactions for the Development of Antibody  Based Filters

Mohidus Samad Khan; Michael A. Whitehead; Theo G. M. van de Ven

doi:10.9734/IRJPAC/2015/19579

Research Article Open access CC BY 4.0

Theoretical Calculation of Antigen-Antibody Interactions for the Development of Antibody Based Filters

Mohidus Samad Khan, Michael A. Whitehead, Theo G. M. van de Ven

International Research Journal of Pure and Applied Chemistry · pp. 1–6 · Published 14 Aug 2015

10.9734/IRJPAC/2015/19579

Abstract

Antibody-antigen interactions play a major role in many biological systems and can be used in sensors to capture target molecules. We investigated, as an example, the interaction behaviour of Picloram, a herbicide, which can contaminate fresh water supply, and its corresponding antibody. Antibody 3D homology modelling and antigen-antibody docking calculations followed by quantum mechanical calculations were used to understand antibody structures and binding mechanism, and to calculate antibody-antigen interaction energies. This study will guide experimental studies to develop antibody based filtration technique.

Antibody antigen picloram molecular modelling antibody-antigen interactions

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Mohidus Samad Khan, Michael A. Whitehead, Theo G. M. van de Ven (2015). Theoretical Calculation of Antigen-Antibody Interactions for the Development of Antibody Based Filters. International Research Journal of Pure and Applied Chemistry , 1–6. https://doi.org/10.9734/IRJPAC/2015/19579

Affiliations

Mohidus Samad Khan — Department of Chemistry, McGill University, 3420 University Street, Montreal, Quebec, H3A 2A7, Canada and Department of Chemical Engineering, Bangladesh University of Engineering and Technology, Dhaka 1000, Bangladesh
Michael A. Whitehead — Department of Chemistry, McGill University, 3420 University Street, Montreal, Quebec, H3A 2A7, Canada
Theo G. M. van de Ven — Department of Chemistry, McGill University, 3420 University Street, Montreal, Quebec, H3A 2A7, Canada

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