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Computational Nanotechnology: A Tool for Screening Therapeutic Nanomaterials Against Alzheimer’s Disease

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Computational Modeling of Drugs Against Alzheimer’s Disease

Part of the book series: Neuromethods ((NM,volume 132))

Abstract

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder leading to several structural, biochemical, or electrical abnormalities in the brain. Though it is mainly caused by the mutation in the genes, the other factors such as environment, health, and lifestyle also contribute to the disease. Recent interest has been turned toward harnessing the potential of nanomaterials for the treatment of AD. Assessing the therapeutic potential of the nanomaterials toward AD using in vivo and in vitro methods suffers from several limitations. The conventional in vivo and in vitro methods are laborious and time consuming and it requires sophisticated facilities. Herein we report the computational nanotechnology approaches for modeling the different nanomaterials, assessing the toxicity of the nanomaterials, and strategies to investigate the therapeutic efficacy of these materials for treating AD. This chapter discusses on using Lipinski’s rule of five and rule of three for assessing the drug-like and lead-like characteristics of the nanomaterials. The chapter also addresses the advantages of computational analysis of ADME (absorption, distribution, metabolism, and excretion) characteristics, drug likeliness of nanomaterials, and the role of molecular docking techniques for assessing the therapeutic efficacy of the nanomaterials.

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Authors and Affiliations

  1. Department of Biotechnology, National Institute of Technology Durgapur, Mahatma Gandhi Avenue, Durgapur, 713209, India

    R. Navanietha Krishnaraj & Dipayan Samanta

  2. Department of Chemical and Biological Engineering, South Dakota School of Mines and Technology, Rapid City, SD, 57701, USA

    R. Navanietha Krishnaraj & Rajesh K. Sani

Authors
  1. R. Navanietha Krishnaraj
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  2. Dipayan Samanta
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  3. Rajesh K. Sani
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Correspondence to R. Navanietha Krishnaraj or Rajesh K. Sani .

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Editors and Affiliations

  1. Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India

    Kunal Roy

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Navanietha Krishnaraj, R., Samanta, D., Sani, R.K. (2018). Computational Nanotechnology: A Tool for Screening Therapeutic Nanomaterials Against Alzheimer’s Disease. In: Roy, K. (eds) Computational Modeling of Drugs Against Alzheimer’s Disease. Neuromethods, vol 132. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-7404-7_21

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  • DOI: https://doi.org/10.1007/978-1-4939-7404-7_21

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