In silico allergenicity and cross reactivity assessment of recombinant drugs based on sequence identity algorithm, epitope mapping, and 3d structure studies

Seyed mohammad amin Shafiei,1,* Najaf allahyari fard,2




The word allergy organization (wao) has announced that about 30 percent of world population suffers from allergy types . allergen is a protein or glycoprotein identified by immunoglobulin e (ige) in the immune system of susceptible individuals. due to the rapid growth of allergy information, bioinformatics methods for allergen information management and accurate analysis of sequences, structures, functional and allergenic properties are under development.


In this research, all recombinant drug were investigated using drugbank and chembl databases. among all investigated medications, 108 drugs sequences and 17 drugs structures were obtained. sdap, algpred, allergenonline databases in sequence based and ellipro in 3d structure were used for allergenicity assessment.


Our results indicate some drugs as pancrelipase amylase, albiglutide, thrombin alfa, becaplermin, and chorionic gonadotropin have allergenicity effects.


This research is scientific effort to determine recombinant drug allergies, cross reactivity, and to obtain new perspectives on reducing or eliminating allergenicity based on in silico investigations. allergenicity and cross reactivity assessment of recombinant drugs performed based on sequence based algorithm, structural based, and epitope studies. also in this research attempts have been made to reduce or eliminate allergenicity of recombinant drugs by altering some of the amino acids in epitope areas. it is necessary that the recombinant proteins drug are examined for allergenicity before use. also, allergenicity reduction of recombinant proteins should be considered prior to their production.


In silico allergenicity, cross reactivity, recombinant drugs.