Characterizing the West Nile Virus's polyprotein from nucleotide sequence to protein structure – Computational tools

Praveen, Mallari

doi:10.1016/j.jtumed.2024.01.001

Cited by 2 publications

References 44 publications

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Multi-epitope-based vaccine designing against Junín virus glycoprotein: immunoinformatics approach

Praveen

2024

Futur J Pharm Sci

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Background The Junín virus (JUNV) is well known for causing argentine haemorrhagic fever (AHF), a severe endemic disease in farming premises. The glycoprotein of JUNV is an important therapeutic target in vaccine design. Despite using drugs and neutralizing weakened antibodies being used in the medication, neither the severity reduced nor eradicated the infection. However, this constraint can be resolved by immunoinformatic approaches. Results The glycoprotein fasta sequence was retrieved from NCBI to anticipate the B cell and T cell epitopes through the Immune Epitope Database. Furthermore, each epitope underwent validation in Vaxijen 2.0, Aller Top, and Toxin Pred to find antigenic, nonallergic, and non-toxic peptides. Moreover, the vaccine is designed with appropriate adjuvants and linkers. Subsequently, physicochemical properties were determined in ProtParam including solubility and disulphide bonds in the SCRATCH server. The vaccine 3D structure was built using I-TASSER and refined in ModRefine. Docking between JUNV glycoprotein (PDB ID:5NUZ) with a built vaccine revealed a balanced docked complex visualized in the Drug Discovery studio, identified 280 hydrogen bonds between them. The docking score of − 15.5 kcal/mol was determined in the MM/GBSA analysis in HawkDock. MD simulations employed using the GROMACS at 20 ns resulted in minimal deviation and fewer fluctuations, particularly with high hydrogen bond-forming residues. Conclusion However, these findings present a potential vaccine for developing against JUNV glycoprotein after validating the epitopes and 3D vaccine construct through in silico methods. Therefore, further investigation in the wet laboratory is necessary to confirm the potentiality of the predicted vaccine.

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Multi-epitope-based vaccine designing against Junín virus glycoprotein: immunoinformatics approach

Praveen

2024

Futur J Pharm Sci

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Assessment of Anticancer Properties of Plumbago zeylanica

Azad,

Praveen,

Sulaiman

2024

Harnessing Medicinal Plants in Cancer Prevention and Treatment

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Plumbago zeylanica is a member of the Plubaginaceae family and well known for its pharmacological properties attributed to secondary metabolites such as phenolics, alkaloids, and saponins. Notably, the root extracts of this plant contain a compound called “plumbagin (PLB),” which has been responsible for its anti-cancer activity. PLB is a naturally forming naphthoquinone found in plant roots. Numerous researchers have stated the anti-cancer activity of PLB against various cell lines of cancer that include squamous cell carcinoma, gastric cancer, cholangiocarcinoma, adenocarcinoma, prostate cancer, oral squamous cell carcinoma, melanoma, brain tumor, lung cancer, breast cancer, kidney lymphocyte carcinoma, osteosarcoma, canine cancer, tongue leukemia, esophageal cancer, and hepatoma. In this chapter, we comprehend a review of the studies published till now related to the anticancer properties of Plumbago zeylanica, examining both recent advances and existing limitations in understanding of its potential in cancer treatment.

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Characterizing the West Nile Virus's polyprotein from nucleotide sequence to protein structure – Computational tools

Cited by 2 publications

References 44 publications

Multi-epitope-based vaccine designing against Junín virus glycoprotein: immunoinformatics approach

Multi-epitope-based vaccine designing against Junín virus glycoprotein: immunoinformatics approach

Assessment of Anticancer Properties of Plumbago zeylanica

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