Screening of Fascaplysin for its Efficient Abatement of Hepatocellular Carcinoma and Promiscuous Epitope Mapping of Selected Proteins with Docking Perspectives.

Sethuraman Naveenkumar, Natesan Manoharan, Neelamegam Rameshkumar, Nagarajan Kayalvizhi

Abstract


Hepatocellular carcinoma (HCC) is regarded as one among the deadliest cancers in the world. In particular, aflatoxin induced hepatocellular carcinoma is alarmingly on rise due to food contamination. However, several drugs and synthetic compound are reported to inhibit HCC in humans. Fascaplysin is a marine sponge derived compound has been increasingly considered and proved as a potential inhibitor of CDK2/CDK4 dependent kinase. In the present study, five proteins that are involved in activation of aflatoxin B1 induced hepatocellular carcinogenesis were selected and analyzed for its immunological profiling. Crystal structure of Human Glutathione S-Transferase (GST) A1, Prostaglandin H2 Synthase (PHS), Human Cytochrome p450 3A4, Human Microsomal P450 1A2 and p53 were assessed for their immunogenicity patterns. On the other hand, HLA B27 allele which plays a crucial role in cancer was chosen for T cell and B cell epitope mapping. In this analysis, it shows that SYFPEITHI immunogenic peptides were conserved in all the proteins envisaging the need for a common anti-cancer ligand. However, immunogenic assessment of epitopes and interacting residues revealed that fascaplysin interacts at multiple positions in binding amino acid residues of the selected proteins. This study is purely based on the immunoinformatics approach for the screening of specific compound which could suppress the hepatocellular carcinoma. Therefore, based on the results it’s clear that fascaplysin is a potential inhibitor and effectively binds to immunogenic peptides and act as a candidate against aflatoxin induced hepatocellular carcinoma based on the Insilco analysis.


Keywords


Aflatoxin, Hepatocellular carcinoma, Fascaplysin, Immunoinformatics, Epitope mapping.

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