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In silico screening of phytocompounds in Simarouba glauca towards identification of potential lead compounds to treat dengue viral infection

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Title In silico screening of phytocompounds in Simarouba glauca towards identification of potential lead compounds to treat dengue viral infection
 
Creator Suguna, R
Jeya, J
Renuka, R
 
Subject Antiviral
Dengue
Molecular docking
Molecular dynamic simulation
Quassinoids
Simarouba glauca
 
Description 556-563
Dengue is a viral disease with no specific antiviral or vaccine available for treatment. Nature has always been a source of
drugs since ancient times. People have been using plants and their metabolites for various medical treatments. Simarouba
glauca, as a potential crop, has many secondary metabolites with medicinal properties. The coumarins, quassinoids and
alkaloids in various parts of S. glauca have been selected and predicted for their pharmacokinetics and pharmacodynamics
properties. The stability during their interaction with a nonstructural protein Methyl transferase of DENV was predicted by
molecular docking and Molecular Dynamic Simulation study. The study attempts to predict the phytocompounds in
S. glauca as potential lead compounds to treat DENV infection.
 
Date 2024-01-04T10:08:57Z
2024-01-04T10:08:57Z
2024-01
 
Type Article
 
Identifier 0976-0512 (Online); 0976-0504 (Print)
http://nopr.niscpr.res.in/handle/123456789/63163
https://doi.org/10.56042/ijnpr.v14i4.6288
 
Language en
 
Relation Int. cl. (2021.01)− A61K 36/00, A61P 31/00
 
Publisher NIScPR-CSIR,India
 
Source IJNPR Vol.14(4) [December 2023]