ABSTRACT

To analyze the cholesterol absorption inhibitory activity of phytoconstituent present in Rhododendron arboretum Linn using in silico docking study. The software Molegro Virtual Docker and tools were used for molecular docking v 6.0 along with Graphical User Interface, calculate dock score and evaluate conformers. Molegro virtual docker is a discriminatory programme to predict ligand interactions. The presence of four phytochemical constituents from ethyl acetate extract and nine phytochemical constituents from ethanolic extract were identified by GC-MS. These components undergone insilico molecular docking studies using enzyme transport protein. The lead compounds were selected through the docking score. The compounds of ethyl acetate extract such as Dibutyl phthalate (-114.342); 1,2-Bis(trimethylsilyl)benzene (-86.8186); 2-(Heptyloxycarbonyl) benzoic acid (-73.179) and the compounds of ethanolic extract like Arsenous acid, tris (trimethylsilyl) ester (-90.6775); Methyltris (trimethylsiloxy) silane (-89.5094); Propiophenone, 2’-(trimethylsiloxy)- (-88.7413). Each extract has been shown three lead compounds from in-silico molecular docking using standard atorvastatin (-104.402). Further investigations on the above phytochemical constituents and insilico molecular docking study are necessary to develop potential chemical entities for the prevention and treatment of anti-hyper cholesterolemia. Keywords: Anti-hypercholesterolemia, Atorvastatin, Molecular docking, Rhododendron arboreum Linn, 3QNT
Publication date: 01/03/21

https://ijbpas.com/pdf/2021/March/MS_IJBPAS_2021_57591.pdf

Download PDF
https://doi.org/10.31032/IJBPAS/2021/10.3.5759