Risk assessment studies on HLA association with drug induced hypersensitivity caused by anti tuberculosis drugs – an in silico approach

Result Anti-tuberculosis drugs can bind within the peptide binding grooves of HLA-B*57:01, HLA-A*02:06 and HLA-A*02:03 alleles and thereby alter its specificity. In the docking simulations, the interactions were found between HLA-A*02:01 and sulfasalazine , streptomycin , oflaxacin at Asp54, Ile237, Glu236, Lys267, Glu256, Thr238 And Val255 with -6.43 kcal/mol, -5.86 kcal/mol and -5.83 kcal/mol binding energy. HLA-A*02:06, HLAB*57:01 and HLA-A*02:03 have interaction with oflaxacin at Arg6, Lys58, Tyr51 and Arg72 with binding energies of -5.72 kcal/mol, -5.79 kcal/mol and -5.15 kcal/mol respectively. Conclusion The ultimate translation of this knowledge of how Antituberculosis drugs interact with HLA would be applicable to preclinical drug screening programs to improve the safety and cost effectiveness of drug design and development.