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In-silico elucidation of Moringa oleifera phytochemicals against diabetes mellitus by Bibi Zainab; Zainab Ayaz; Mona S. Alwahibi; Sajid Khan; Humaira Rizwana; Dina Wafik Soliman; Asma Alawaad; Arshad Mehmood Abbasi is a Agricultural and Biological Sciences article available to read on EtoBox.

What is In-silico elucidation of Moringa oleifera phytochemicals against diabetes mellitus about?

__Moringa oleifera__ is also known as “Miracle tree”, due to its multiple uses and adaptability. Because of nutritive and pharmacological values, it is widely cultivated across the world. __M. oleifera__ leaves are rich source of minerals, vitamins and many health beneficial secondary metabolites, and possess significant anti-diabetic potential. Consequently, __Insilco__ study could be noteworthy to expand effective anti-diabetic drugs from this plant. Present study was designed to find out the best bioactive compounds of __M. oleifera__ as a potential therapeutic agent against diabetes mellitus through __In-silico__ method. For this, structures of phytochemicals were extracted from PubChem and docked to mutated protein from PBD. Afterwards, datasets were prepared for ligand based pharmacophore and their pharmacophoric features were generated from LigandScout. Finally five phytochemicals viz. anthraquinone, 2-phenylchromenylium (Anthocyanins), hemlock tannin, sitogluside (glycoside) and A-phenolic steroid were selected, which exhibited effective binding within the active binding pocket of the targeted protein. Ligand based pharmacophore model showed the key features i.e. HBD, HBA,

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Author

Bibi Zainab; Zainab Ayaz; Mona S. Alwahibi; Sajid Khan; Humaira Rizwana; Dina Wafik Soliman; Asma Alawaad; Arshad Mehmood Abbasi

Publisher

Elsevier BV

Published

2020

Language

EN

Field

Agricultural and Biological Sciences (Life Sciences)