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Identification of Lead Compounds from Plant Secondary Metabolites to Target Non-Structural Protein (Ns5) of Dengue Virus by Insilico Method
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| Author:
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ARUNYA M, SIMYA R, SIVASANKARI M, ARUL JAYANTHI A
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| Abstract:
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Dengue fever is a mosquito-borne viral disease occurring in tropical and subtropical areas. People who are
infected with the virus for second time are at a significantly greater risk of developing severe disease. There is
no specific drug available to treat dengue infection. Only pain relievers with acetaminophen are employed.
Hence our aim is to find out a lead molecule from plant phytochemicals which could effectively target multiple
proteins within the dengue virus. The non-structaural protein NS5 in dengue virus was selected as the target
and molecular docking was performed to screen the phytochemcials that show interaction with the selected
target. Phytochemicals namely Andrographiside and Isorhamnetin 3-O-Rutinoside were found to show
maximum interaction with the selected target protein. The binding of Andrographiside and Isorhamnetin 3-ORutinoside with the target protein were compared with the available inhibitor, and was found to be almost
identical and therefore the results were found to be favorable to select Andrographiside and Isorhamnetin 3-
O- Rutinoside as lead molecules in developing a drug to treat dengue virus. The activity analysis, ADME
properties, target prediction and toxicity analysis for Andrographiside and Isorhamnetin 3-O-Rutinoside were
done using online tools. The results of these insilico experiments showed that Andrographiside and
Isorhamnetin 3-O-Rutinoside could be possible lead molecules to treat dengue infection.
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| Keyword:
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Dengue, NS5, Quercetin, Andrographiside and Isorhamnetin 3-O-Rutinoside
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| EOI:
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-
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| DOI:
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https://doi.org/10.31838/ijpr/2021.13.01.607
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| Download:
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