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Molecular Computing and Residual Binding Mode in ERα and bZIP Proteins from Homo Sapiens: An Insight into the Signal Transduction in Breast Cancer Metastasis

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Proceedings of the 4th International Conference on Frontiers in Intelligent Computing: Theory and Applications (FICTA) 2015

Part of the book series: Advances in Intelligent Systems and Computing ((AISC,volume 404))

Abstract

The most provoking reason for death in breast cancer patients is the metastasis of breast cancer. Accumulating documentation states that signal transduction in human breast cancers initiate in estrogen-dependent manner with the signaling of estrogen receptor α-subunit (ERα) and XBP-1 (bZIP-domain) proteins. So, molecular level insight into the signaling mechanism is indispensable for future pathological and therapeutic developments. Thus, this current study discloses the stable residual participation of the two crucial human proteins for enhancing the signaling mechanism in breast tumor malignancies. For this purpose, 3D homology models of the respective proteins were prepared after the satisfaction of their stereo-chemical features. The protein–protein interaction was studied and protein complex was energy optimized. Revelation from the stability calculating parameters, solvent accessibility areas and interaction probes led to the inference of the most stable optimized complex and its residual participation (exceptional contribution of polar charged residues) for metastasis progression in breast cancer cells.

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Acknowledgement

Authors are deeply indebted for the immense help, paramount suggestions, and continuous encouragement rendered by Dr. Angshuman Bagchi, Assistant Professor, Department of Biochemistry and Biophysics, University of Kalyani, Kalyani, Nadia, India. Authors also render gratefulness to the Department of Biotechnology, National Institute of Technology, Durgapur as well as to the Department of Biotechnology, Bengal College of Engineering and Technology for their support and cooperation.

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Authors and Affiliations

  1. Department of Biotechnology, National Institute of Technology, Durgapur, West Bengal, India

    Arundhati Banerjee

  2. Department of Biochemistry and Biophysics, University of Kalyani, Kalyani, West Bengal, India

    Sujay Ray

  3. Department of Biotechnology, Bengal College of Engineering and Technology, Durgapur, West Bengal, India

    Sujay Ray

Authors
  1. Arundhati Banerjee
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  2. Sujay Ray
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Correspondence to Sujay Ray .

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Editors and Affiliations

  1. Machine Intelligence Unit, ISI, Kolkata, West Bengal, India

    Swagatam Das

  2. Computer Science and Engineering, National Institute of Technology, Durgapur, West Bengal, India

    Tandra Pal

  3. National Institute of Technology, Durgapur, West Bengal, India

    Samarjit Kar

  4. Deparment of CSE, Anil Neerukonda Ins. of Tech. & Sci., Vishakapatnam, India

    Suresh Chandra Satapathy

  5. Kalyani University, Nadia, West Bengal, India

    Jyotsna Kumar Mandal

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Banerjee, A., Ray, S. (2016). Molecular Computing and Residual Binding Mode in ERα and bZIP Proteins from Homo Sapiens: An Insight into the Signal Transduction in Breast Cancer Metastasis. In: Das, S., Pal, T., Kar, S., Satapathy, S., Mandal, J. (eds) Proceedings of the 4th International Conference on Frontiers in Intelligent Computing: Theory and Applications (FICTA) 2015. Advances in Intelligent Systems and Computing, vol 404. Springer, New Delhi. https://doi.org/10.1007/978-81-322-2695-6_5

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  • DOI: https://doi.org/10.1007/978-81-322-2695-6_5

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  • Publisher Name: Springer, New Delhi

  • Print ISBN: 978-81-322-2693-2

  • Online ISBN: 978-81-322-2695-6

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