In silico identification and characterization of potential allergenic proteins from Vigna mungo (blackgram)

It is concerning that allergic symptoms related to consuming black gram or Vigna mungo-based diets have been reported from Asia and Australia. Since the identification of specific allergenic proteins from blackgram is in its infancy, it demands further exploration and underscores the complexity of food allergies. To decipher allergenic proteins from V. mungo and to characterize them, an in-silico study was conducted. Out of the total proteins available on UniProt, the potential allergens, vignain (P12412), peptide-prolyl cis-trans isomerase (D3VMM4), and cysteine protease (Q9MB27) were selected for further analysis based on their allergenic potential. Their antigen binding sites were predicted and 3D structures were modeled and docked with immunoglobin IgE and T cell antibody and their binding energies were obtained. To find the stability of the interactions, MD simulations were conducted and the results indicated that Q9MB27, D3VMM4 and P12412 formed stable bonds with IgE and T cell antibodies. Identifying the specific proteins responsible for these allergic reactions could be crucial for developing effective diagnostic tools and potential therapies to help individuals manage their allergies more efficiently. Further validation of the above results by in vitro and in vivo methods is highly recommended.