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Virtual Screening and Biological Evaluation of Piperazine Derivatives as Human Acetylcholinesterase Inhibitors
Joint Authors
Muruli, Archana
Mallesha, Lingappa
Mukunda, Chethan Kumar
Kumar, Jajur Ramanna
Sharanaiah, Umesha
Mohana, Kikkeri Narasimha Shetty
Varadaraju, Kavitha Raj
Source
International Journal of Alzheimer's Disease
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-13, 13 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-10-28
Country of Publication
Egypt
No. of Pages
13
Main Subjects
Abstract EN
The piperazine derivatives have been shown to inhibit human acetylcholinesterase.
Virtual screening by molecular docking of piperazine derivatives 1-(1,4-benzodioxane-2-carbonyl) piperazine (K), 4-(4-methyl)-benzenesulfonyl-1-(1,4-benzodioxane-2-carbonyl) piperazine (S1), and 4-(4-chloro)-benzenesulfonyl-1-(1,4-benzodioxane-2-carbonyl) piperazine (S3) has been shown to bind at peripheral anionic site and catalytic sites, whereas 4-benzenesulfonyl-1-(1,4-benzodioxane-2-carbonyl) piperazine (S4) and 4-(2,5-dichloro)-benzenesulfonyl-1-(1,4-benzodioxane-2-carbonyl) piperazine (S7) do not bind either to peripheral anionic site or catalytic site with hydrogen bond.
All the derivatives have differed in number of H-bonds and hydrophobic interactions.
The peripheral anionic site interacting molecules have proven to be potential therapeutics in inhibiting amyloid peptides aggregation in Alzheimer’s disease.
All the piperazine derivatives follow Lipinski’s rule of five.
Among all the derivatives 1-(1,4-benzodioxane-2-carbonyl) piperazine (K) was found to have the lowest TPSA value.
American Psychological Association (APA)
Varadaraju, Kavitha Raj& Kumar, Jajur Ramanna& Mallesha, Lingappa& Muruli, Archana& Mohana, Kikkeri Narasimha Shetty& Mukunda, Chethan Kumar…[et al.]. 2013. Virtual Screening and Biological Evaluation of Piperazine Derivatives as Human Acetylcholinesterase Inhibitors. International Journal of Alzheimer's Disease،Vol. 2013, no. 2013, pp.1-13.
https://search.emarefa.net/detail/BIM-488581
Modern Language Association (MLA)
Varadaraju, Kavitha Raj…[et al.]. Virtual Screening and Biological Evaluation of Piperazine Derivatives as Human Acetylcholinesterase Inhibitors. International Journal of Alzheimer's Disease No. 2013 (2013), pp.1-13.
https://search.emarefa.net/detail/BIM-488581
American Medical Association (AMA)
Varadaraju, Kavitha Raj& Kumar, Jajur Ramanna& Mallesha, Lingappa& Muruli, Archana& Mohana, Kikkeri Narasimha Shetty& Mukunda, Chethan Kumar…[et al.]. Virtual Screening and Biological Evaluation of Piperazine Derivatives as Human Acetylcholinesterase Inhibitors. International Journal of Alzheimer's Disease. 2013. Vol. 2013, no. 2013, pp.1-13.
https://search.emarefa.net/detail/BIM-488581
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-488581