Journal of Biomedical and Engineering Research
ISSN: 3065-8780 | DOI: 10.64030/3065-8780
Dluya Samuel Thagriki, Reuben Agada, Henry Bulama Gideon, Wandiahyel Gauison Yaduma and Ibrahim Toma
Carica papaya Linn. belongs to the family Caricaceae and is well known for its therapeutic and nutritional properties. The study evaluated the seed extract phytocompounds for their potential antiviral properties using integrated computational analysis. Phytocompounds were analyzed using GC-MS analysis. Compounds were classified and annotated using the Classy Fire methodology. Physicochemical characteristics were predicted via the Swiss ADME web service. Antiviral properties were predicted using Pass online. Natural product-likeness was assessed using the NP-Scout system. Kinase targets prediction was determined using the Kin Screen application. Gene expression profiles were extrapolated using the DIGEP Pred web service. The compounds belonged to the organic compound kingdoms. Classy Fire hierarchical revealed compound 1, 4, and 5 as fatty acid methyl esters, compound 2, 6, and 7 as long-chain fatty acids, and compound 3, 8, 9, and 10 as linoleic acids and derivatives, very long-chain fatty acids, phosphatidylethanolamines, and fatty aldehydes. Compounds 1 and 2 showed potential drug properties using ADME analysis and natural product likeness. Compound 2 exhibits the best target in the kinase members. The compounds were active against the dengue virus type 2 genome polyprotein. Compounds 2 and 7 were the most active and had the highest confidence level of 0.6981. Gene expression profiling analysis revealed overlapping genes. IL23A was significantly upregulated while MT1H, ELAVL1, and SMARCC1 were significantly downregulated. The phytocompounds could exhibit antiviral properties against dengue virus type 2 by interfering with mRNA expression of key genes and mediating signaling in coordinating immune defenses against DENV infection.