Recently, we investigated the binding mode of abacavir with the HLA-B*57:01 variant using molecular docking. Herein, we developed a new ensemble screening workflow involving three X-ray crystal derived docking procedures to screen the DrugBank database and identify potentially HLA-B*57:01 liable ...
Herein, using all these recent insights into modeling drug-HLA interactions, this new study aims at developing and testing an ensemble docking platform [44] to screen the entire DrugBank database for potentially HLA-B*57:01 liable compounds that are currently unknown and/or untested. At the tim...
HIA—B*5701screen— ingwasperformedusingmultiplexedsequencespecificprimersPCR(SSP-PCR)method.Theresultswerereadbyagarose gelelectrophoresis.withadditionalDNAsequencingforIDUswhoseagarosegeleleetrophoresisfindingswerepositive.Re— sulIs Ofthe1043HIVpositiveIDUs5carriedHLA_B ...
That this unbiased screen detected the presence of B∗46 to have the greatest effect on gene expression in NK cells among infected individuals, compared with other major cell types, supports the interpretation that the epidemiological association we observed between B∗46 and loss of HIV control...
(Tecan M200). Viral stocks were generated by co-transfection of HEK293T cells with pBR4.3∆Nef∆Env and pVSV-g using Lipofectamine 2000 (ThermoFisher Scientific). Infected GXR target cells were isolated by FACS based on GFP expression prior to co-culture with Jurkat T cells. To screen ...
procedures to screen the DrugBank database and identify potentially HLA-B*57:01 liable drugs. Then, we compared our workflow’s performance with another model recently developed by Metushi et al., which proposed seven in silico HLA-B*57:01 actives, but were later found to be experimentally ...
That this unbiased screen detected the presence of B∗46 to have the greatest effect on gene expression in NK cells among infected individuals, compared with other major cell types, supports the interpretation that the epidemiological association we observed between B∗46 and loss of HIV control...