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Computational Modeling of Phosphodiesterase Inhibitors as Anti-Alzheimer Agents

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Computational Modeling of Drugs Against Alzheimer’s Disease

Part of the book series: Neuromethods ((NM,volume 203))

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Abstract

Neurodegenerative diseases are pathological disorders inducing a gradual loss of neuronal functionality presenting a multifactorial character. Among them, Alzheimer’s disease (AD) causes the most well-known type of dementia and one of the major representatives. Due to the multifactorial etiology of AD, pleiotropic treatments are getting increasing importance. Phosphodiesterases (PDEs) are treated as molecular targets for many pathological situations. Neurodegenerative manifestations are among them. Regulation of the concentration of cAMP and/or cGMP is related to the inhibition of PDEs located in the human brain. In this chapter, we will discuss the results of computational modeling studies on PDE inhibitors as anti-Alzheimer agents. Hydrogen bonds, π–π stacking, and volume are important for the interaction of the molecules with the catalytic site of PDEs.

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Authors and Affiliations

  1. Department of Pharmaceutical Chemistry, School of Pharmacy, Faculty of Health Sciences, Aristotle University of Thessaloniki, Thessaloniki, Greece

    Ioanna-Chrysoula Tsopka & Dimitra Hadjipavlou-Litina

Authors
  1. Ioanna-Chrysoula Tsopka
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  2. Dimitra Hadjipavlou-Litina
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Correspondence to Dimitra Hadjipavlou-Litina .

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Editors and Affiliations

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

    Kunal Roy

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Tsopka, IC., Hadjipavlou-Litina, D. (2023). Computational Modeling of Phosphodiesterase Inhibitors as Anti-Alzheimer Agents. In: Roy, K. (eds) Computational Modeling of Drugs Against Alzheimer’s Disease. Neuromethods, vol 203. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-3311-3_12

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  • DOI: https://doi.org/10.1007/978-1-0716-3311-3_12

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-3310-6

  • Online ISBN: 978-1-0716-3311-3

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