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

Diseases
Medicine

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