title: Immunogenic decapeptide in melanoma immunotherapy.
abstract: Melanoma is a cancer associated with melanocytes of epidermis. There has been a consistent increase in the number of melanoma patients because of the depletion of the ozone layer which makes it of paramount importance to explore the immunogenic potential of various peptides in melanoma therapy. In the current study, a mutated decapeptide (ELAGIGILTV) epitope ID 12941 was taken from the melanoma antigen recognized by T-cells. This epitope displayed relatively better affinity for histocompatibility leukocyte antigen influencing the proliferation of cytotoxic T-cells. Immunogenicity of the oligopeptide can be further intensified by its simultaneous binding to the programmed death receptor of the T lymphocytes. We have used the molecular dynamics (MD) simulation approach to reveal the dynamics of the decapeptide and its consequences to immunogenic effects. The dynamics have ensembled various conformations of the peptide which have been clustered in their representative conformers. During the dynamics, the peptide was found to fold to its conformation with a minimum free energy. Moreover, multiple analysis of the MD trajectory has provided many physiochemical features involved in the biological activity to improve the immunogenicity of this antigenic peptide. The manuscript concludes by proposing this decapeptide as a potential vaccine for the melanoma cancer.
authors.affiliation: Department of Biotechnology, Maharishi Markandeshwar University, Mullana (Ambala), Haryana, 133207, India. navnitchem@yahoo.com.
authors.forename: Navnit Kumar
authors.initials: NK
authors.lastname: Mishra
authors.affiliation: Department of Biotechnology, Maharishi Markandeshwar University, Mullana (Ambala), Haryana, 133207, India.
authors.forename: Anil Kumar
authors.initials: AK
authors.lastname: Sharma
authors.affiliation: Department of Biotechnology, Maharishi Markandeshwar University, Mullana (Ambala), Haryana, 133207, India.
authors.forename: Tapan Kumar
authors.initials: TK
authors.lastname: Mukherjee
mesh_terms: D007167:Immunotherapy; D008545:Melanoma; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D009842:Oligopeptides / Q000737:chemistry* / Q000627:therapeutic use; D017433:Protein Structure, Secondary
chemical_list: D009842:Oligopeptides
keywords: Epitope; Immunotherapeutics; Melanoma; Molecular docking; Molecular dynamics