Critical assessment of approaches for molecular docking to elucidate associations of HLA alleles with adverse drug reactions.

ABSTRACT: Adverse drug reactions have been linked with genetic polymorphisms in HLA genes in numerous different studies. HLA proteins have an essential role in the presentation of self and non-self peptides, as part of the adaptive immune response. Amongst the associated drugs-allele combinations, anti-HIV drug Abacavir has been shown to be associated with the HLA-B*57:01 allele, and anti-epilepsy drug Carbamazepine with B*15:02, in both cases likely following the altered peptide repertoire model of interaction. Under this model, the drug binds directly to the antigen presentation region, causing different self peptides to be presented, which trigger an unwanted immune response. There is growing interest in searching for evidence supporting this model for other ADRs using bioinformatics techniques.

SUBMITTER: Ramsbottom KA 

PROVIDER: S-EPMC6148408 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature