Computational Study of Selected Phytochemicals from Nutmeg Extracts for Their Binding Affinity with Obesity Related Enzyme Retinol Binding Protein (1GGL)

Authors

  • Rosy Mallik

Abstract

In silico screening of some phytochemical compounds of nutmeg (myristica fragrans) were performed against
Retinol binding protein III (1GGL). This protein is associated with obesity. A computational study has been
carried out and the results are discussed here.
The 3D structures of the ligands were attained from PubChem database and the protein structures were obtained
from Protein Data Bank.
Free molecular docking software AutoDock Vina was used to prepare the ligands and dock against the target
protein. The affinity of each compound for Retinol binding protein could be predicted from the binding energy.
Among the chosen phytochemicals, Malalabaricone C exhibited highest binding affinity and most number of
hydrogen bonding towards 1GGL.

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Published

2020-12-01

How to Cite

Rosy Mallik. (2020). Computational Study of Selected Phytochemicals from Nutmeg Extracts for Their Binding Affinity with Obesity Related Enzyme Retinol Binding Protein (1GGL). International Journal of Modern Agriculture, 9(4), 400 - 404. Retrieved from https://modern-journals.com/index.php/ijma/article/view/228

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