Search for Nootropic Substances Based on Molecular Docking of Methanepyrido[1,2-a][1, 5]Diazocin[(-)-Cytisine] Derivatives to the Active Center of the Nicotinic Acetylcholine Receptor

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• 作者：A. Ya. Gerchikov ; M. N. Vasil’ev ; V. R. Khairullina…
• 关键词：molecular docking ; virtual screening ; receptor ; inhibitor ; neurodegenerative diseases
• 刊名：Pharmaceutical Chemistry Journal
• 出版年：2015
• 出版时间：December 2015
• 年：2015
• 卷：49
• 期：9
• 页码：582-586
• 全文大小：203 KB
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• 作者单位：A. Ya. Gerchikov (1)
  M. N. Vasil’ev (1)
  V. R. Khairullina (1)
  I. P. Tsypysheva (2)
  F. S. Zarudii (2)
  
  1. Bashkir State University, 32 Zaki Validi Street, 450076, Ufa, Russia
  2. Institute of Organic Chemistry, Ufa Scientific Center, Russian Academy of Sciences, 71 Oktyabr-Street, 450054, Ufa, Russia
  
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Pharmacy
  Pharmacology and Toxicology
  Organic Chemistry
  Russian Library of Science
  
• 出版者：Springer New York
• ISSN：1573-9031

文摘

Docking of a series of methanepyrido[1,2-a][1,5]diazocin[(-)-cytisine derivatives to the active center of the nicotinic acetylcholine receptor was used to generate a set of potential substances for the treatment of cognitive dysfunction. The results from these studies led to the conclusion that six of the 21 structures were potential inhibitors of the nicotinic acetylcholine receptor. Experimental testing confirmed that the study compounds had nootropic actions and allowed the most active of these to be selected for further investigation. Keywords molecular docking virtual screening receptor inhibitor neurodegenerative diseases