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Bioinformation. 2013 Dec 27;9(20):1031-5. doi: 10.6026/97320630091031. eCollection 2013.

Screening and design of anti-diabetic compounds sourced from the leaves of neem (Azadirachta indica).

Author information

1
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
2
Department of Poultry Husbandry, University of Agriculture, Faisalabad, Pakistan.
3
Department of Biochemistry, Abdul Wali Khan University, Mardan, Pakistan.

Erratum in

  • Bioinformation. 2014;10(6):393. Masoud, Muhammad Shareef [corrected to Javed, Muhammad Rizwan].

Abstract

Diabetes Mellitus is affecting people of all age groups worldwide. Many synthetic medicines available for type 2 diabetes mellitus in the market. However, there is a strong requirement for the development of better anti-diabetes compounds sourced especially from natural sources like medicinal plants. The extracts from the leaves of neem (Azadirachta indica) is traditionally known to have anti-diabetes properties. Therefore, there is an increased interest to identify potential compounds identified from neem leaf extracts showing predicted binding property with the known diabetes mellitus type 2 protein enzyme target phosphoenol-pyruvate carboxykinase(PEPCK). The structure data for compounds found in the leaf extract of neem was screened against PEPCK using molecular docking simulation and screening techniques. Results show that the compound 3-Deacetyl-3-cinnamoyl-azadirachtin possesses best binding properties with PEPCK. This observation finds application for further consideration in in vitro and in vivo validation.

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