Discovering anti-diabetic phytocompounds through wide spectrum in silico analyses

[Deepu Mathew]

Hi

Anti-diabetic formulations of Ayurveda include many plants from Western Ghats, but with no insights on molecules offering these properties. To identify the specific molecules and to enable the drug discovery, as much as 656 phytocompounds belonging to 20 plants with their 3D structures retrieved from PubChem were docked with multiple active amino acid sites of target proteins. From 3174 viable ligand-protein confirmations, 23 molecules which passed ADME/T assay and all dock parameters were identified.

Apart from detailing these potential molecules which are ready for entry to in vivo assays, the study explores the reason behind the antidiabetic property of each plant. The attached paper shall appear in June issue of Taylor & Francis' 'Journal of Herbs, Spices and Medicinal Plants'.

Regards

Deepu Mathew, Ph. D. | Post Doctoral Research Associate |

Lilly 2458 Torbert Rocheford Lab | Department of Agronomy |

Purdue University | West Lafayette, IN47907-2054, USA |

Phone: +12088101179

[Kedareswar Pradhan]

A great study. Thank you

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