Publication

Abstract : Pharmacogenomic analysis of tuberculosis in PharmGkb resulted in the association of the pharmacokinetic property of rifampin with the gene SLCO1B1. Transcription factor and microRNA association of SLCO1B1 in miRTarBase resulted in the identification of HNF1A and hsa-miR-511-5p and the possible regulatory network to understand the pharmacokinetic association of rifampin involves the gene SLCO1B1 with the transcription factor HNF1A and the miRNA hsa-miR-511-5p. Till date, HNF1A and has-miR-511-5p were not considered as vital targets for tuberculosis. In future, more experimental evidences are required address the association of tuberculosis with HNF1A and hsa-miR-511-5p. The miRNA hsa-miR-511-5p was validated experimentally. Since there is a lack of a complete crystal structure for HNF1A, homology modeling was performed in Galaxy web and the modelled structure contains 97% of amino acids in the allowed region of Ramachandran plot. The modeled structure will serve as vital target for the drug discovery of rifampin based analogs. Virtual Screening was performed in USR-VS server for identifying the best compound from the analogs of rifampin and it was identified that the analog with Zinc database Id 71049520 contain a relatively lower molecular weight compared to the parent molecule. Then the screened molecule was docked with the modeled protein using MTI AutoDock and the best pose was detected from MTI AutoDock with a minimum energy of-5.96.