Screening and design of anti-diabetic compounds sourced from the leaves of neem (Azadirachta indica).
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.
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
Asma
A
Jalil
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
Usman Ali
UA
Ashfaq
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
Samar
S
Shahzadi
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
Ijaz
I
Rasul
Department of Poultry Husbandry, University of Agriculture, Faisalabad, Pakistan.
Shahid-Ur
SU
Rehman
Department of Biochemistry, Abdul Wali Khan University, Mardan, Pakistan.
Masaud
M
Shah
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
Muhammad Rizwan
MR
Javed
Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
Muhammad Shareef
MS
Masoud